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885281-10-7 | 2-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CAS No: 885281-10-7 Catalog No: AG00458T MDL No:MFCD06738527
Product Description
Catalog Number:
AG00458T
Chemical Name:
2-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CAS Number:
885281-10-7
Molecular Formula:
C6H9N3
Molecular Weight:
123.1558
MDL Number:
MFCD06738527
IUPAC Name:
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
InChI:
InChI=1S/C6H9N3/c1-4-8-5-2-7-3-6(5)9-4/h7H,2-3H2,1H3,(H,8,9)
InChI Key:
VIPJPNIEHGEJOE-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)CNC2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.08g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
123.159g/mol
Monoisotopic Mass:
123.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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