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176302-86-6 | 1H-Pyrrolo[2,1-d][1,2,5]triazepine (9CI)
CAS No: 176302-86-6 Catalog No: AG0024L0 MDL No:
Product Description
Catalog Number:
AG0024L0
Chemical Name:
1H-Pyrrolo[2,1-d][1,2,5]triazepine (9CI)
CAS Number:
176302-86-6
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
IUPAC Name:
1H-pyrrolo[2,1-d][1,2,5]triazepine
InChI:
InChI=1S/C7H7N3/c1-2-7-6-9-8-3-5-10(7)4-1/h1-5H,6H2
InChI Key:
IAMXDWBNPJSHAQ-UHFFFAOYSA-N
SMILES:
N1=NCc2n(C=C1)ccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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