CID 139242687

C7H8N2 — CID 139242687

IUPAC—
SMILES[C]1N/C=C\C=C/C=C\N1
InChIInChI=1S/C7H8N2/c1-2-4-6-9-7-8-5-3-1/h1-6,8-9H/b2-1-,5-3-,6-4-
InChIKeyDHGDEPZPYGPHLG-XCADPSHZSA-N
MW120.15 g/mol
LogP0.76
Rot. Bonds

About CID 139242687

CID 139242687 (PubChem CID 139242687) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol.

Molecular Properties

Compound NameCID 139242687
PubChem CID139242687
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name—
SMILES[C]1N/C=C\C=C/C=C\N1
InChIInChI=1S/C7H8N2/c1-2-4-6-9-7-8-5-3-1/h1-6,8-9H/b2-1-,5-3-,6-4-
InChIKeyDHGDEPZPYGPHLG-XCADPSHZSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydropyridine amine
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Aminoazepine
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2,2-Diaminopyridine
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Azepin-2-amine dihydrochloride
CID 129849509
3-fluoro-N-methyl-1,2-dihydropyridin-2-amine
CID 173058094
(4Z,6Z,8Z)-2,3-dihydro-1H-1,3-diazonine
CID 139242703
Azepin-7-amine-1-oxide
CID 155907136
N-allylazepin-2-amine
CID 162393129
1,8a-Dihydroimidazo[1,2-a]pyridine
CID 10363782
1,8a-Dihydroimidazo[1,2-a]pyridin-2-amine
CID 18338515
N,N-dimethyl-1,2-dihydropyridin-2-amine
CID 18974920
azane;1H-azepine
CID 21395141

Frequently Asked Questions

What is the IUPAC name of CID 139242687?
The IUPAC name of CID 139242687 (CID 139242687) is not available.
What is the SMILES notation for CID 139242687?
The canonical SMILES for CID 139242687 is [C]1N/C=C\C=C/C=C\N1.
What is the InChIKey of CID 139242687?
The InChIKey is DHGDEPZPYGPHLG-XCADPSHZSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-6-9-7-8-5-3-1/h1-6,8-9H/b2-1-,5-3-,6-4-.
What are the key properties of CID 139242687?
CID 139242687 has a molecular weight of 120.15 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242687 is sourced from PubChem (CID 139242687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).