CID 139246424

C7H5N2 — CID 139246424

IUPAC—
SMILES[CH2]C1=CN=C=CC([N])=C1
InChIInChI=1S/C7H5N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,1H2
InChIKeyTVGUSZNFDJMGMQ-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.90
Rot. Bonds

About CID 139246424

CID 139246424 (PubChem CID 139246424) has the molecular formula C7H5N2 and a molecular weight of 117.13 g/mol.

Molecular Properties

Compound NameCID 139246424
PubChem CID139246424
Molecular FormulaC7H5N2
Molecular Weight117.13 g/mol
Exact Mass117.05
IUPAC Name—
SMILES[CH2]C1=CN=C=CC([N])=C1
InChIInChI=1S/C7H5N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,1H2
InChIKeyTVGUSZNFDJMGMQ-UHFFFAOYSA-N
XLogP0.90
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 139246425
CID 139246425
6H-pyrido[2,3-c]azepine
CID 122500711
6-Methyl-1-azacyclohepta-1,2,4,6-tetraen-4-amine
CID 123856718
3-Methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
CID 135303675
8H-benzo[e][1,4]diazepin-8-ylium
CID 136458782
4-Methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine
CID 176544003
3-Methyl-1-azacyclohepta-1,2,4,6-tetraene
CID 71353578
4-Azido-3-methylazepine
CID 71379508

Frequently Asked Questions

What is the IUPAC name of CID 139246424?
The IUPAC name of CID 139246424 (CID 139246424) is not available.
What is the SMILES notation for CID 139246424?
The canonical SMILES for CID 139246424 is [CH2]C1=CN=C=CC([N])=C1.
What is the InChIKey of CID 139246424?
The InChIKey is TVGUSZNFDJMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2/c1-6-4-7(8)2-3-9-5-6/h2,4-5H,1H2.
What are the key properties of CID 139246424?
CID 139246424 has a molecular weight of 117.13 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139246424 is sourced from PubChem (CID 139246424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).