4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine

C7H8N2 — CID 176544003

IUPAC4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine
SMILESCC1=CC=C=NC=C1N
InChIInChI=1S/C7H8N2/c1-6-3-2-4-9-5-7(6)8/h2-3,5H,8H2,1H3
InChIKeyUMTCOXBAXBTVSN-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds

About 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine

4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine (PubChem CID 176544003) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine.

Molecular Properties

Compound Name4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine
PubChem CID176544003
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine
SMILESCC1=CC=C=NC=C1N
InChIInChI=1S/C7H8N2/c1-6-3-2-4-9-5-7(6)8/h2-3,5H,8H2,1H3
InChIKeyUMTCOXBAXBTVSN-UHFFFAOYSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine?
The IUPAC name of 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine (CID 176544003) is 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine.
What is the SMILES notation for 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine?
The canonical SMILES for 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine is CC1=CC=C=NC=C1N.
What is the InChIKey of 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine?
The InChIKey is UMTCOXBAXBTVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-3-2-4-9-5-7(6)8/h2-3,5H,8H2,1H3.
What are the key properties of 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine?
4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine has a molecular weight of 120.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azacyclohepta-2,4,6,7-tetraen-3-amine is sourced from PubChem (CID 176544003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).