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Home > Imidazoles > 1603249-14-4
1603249-14-4 | 3-(1H-imidazol-4-ylmethyl)-1,2-dihydropyrazin-2-one
CAS No: 1603249-14-4 Catalog No: AG01B1HP MDL No:MFCD27980919
Product Description
Catalog Number:
AG01B1HP
Chemical Name:
3-(1H-imidazol-4-ylmethyl)-1,2-dihydropyrazin-2-one
CAS Number:
1603249-14-4
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD27980919
IUPAC Name:
3-(1H-imidazol-5-ylmethyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C8H8N4O/c13-8-7(10-1-2-11-8)3-6-4-9-5-12-6/h1-2,4-5H,3H2,(H,9,12)(H,11,13)
InChI Key:
WNHGPNKRACOKHY-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccnc1Cc1c[nH]cn1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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