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

C7H8N2 — CID 135303675

IUPAC3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
SMILESCC1=CN=C=CC=C1N
InChIInChI=1S/C7H8N2/c1-6-5-9-4-2-3-7(6)8/h2-3,5H,8H2,1H3
InChIKeyNRHWZBLCRNGDQQ-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds

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

3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine (PubChem CID 135303675) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine.

Molecular Properties

Compound Name3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
PubChem CID135303675
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
SMILESCC1=CN=C=CC=C1N
InChIInChI=1S/C7H8N2/c1-6-5-9-4-2-3-7(6)8/h2-3,5H,8H2,1H3
InChIKeyNRHWZBLCRNGDQQ-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 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine?
The IUPAC name of 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine (CID 135303675) is 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine.
What is the SMILES notation for 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine?
The canonical SMILES for 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine is CC1=CN=C=CC=C1N.
What is the InChIKey of 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine?
The InChIKey is NRHWZBLCRNGDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-5-9-4-2-3-7(6)8/h2-3,5H,8H2,1H3.
What are the key properties of 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine?
3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-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 3-methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine is sourced from PubChem (CID 135303675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).