4-methyl-1-azacyclohepta-2,4,6,7-tetraene

C7H7N — CID 71331630

IUPAC4-methyl-1-azacyclohepta-2,4,6,7-tetraene
SMILESCC1=CC=C=NC=C1
InChIInChI=1S/C7H7N/c1-7-3-2-5-8-6-4-7/h2-4,6H,1H3
InChIKeySSDVSXNTDLISIP-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds

About 4-methyl-1-azacyclohepta-2,4,6,7-tetraene

4-methyl-1-azacyclohepta-2,4,6,7-tetraene (PubChem CID 71331630) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 4-methyl-1-azacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name4-methyl-1-azacyclohepta-2,4,6,7-tetraene
PubChem CID71331630
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name4-methyl-1-azacyclohepta-2,4,6,7-tetraene
SMILESCC1=CC=C=NC=C1
InChIInChI=1S/C7H7N/c1-7-3-2-5-8-6-4-7/h2-4,6H,1H3
InChIKeySSDVSXNTDLISIP-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-azacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 4-methyl-1-azacyclohepta-2,4,6,7-tetraene (CID 71331630) is 4-methyl-1-azacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 4-methyl-1-azacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 4-methyl-1-azacyclohepta-2,4,6,7-tetraene is CC1=CC=C=NC=C1.
What is the InChIKey of 4-methyl-1-azacyclohepta-2,4,6,7-tetraene?
The InChIKey is SSDVSXNTDLISIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-7-3-2-5-8-6-4-7/h2-4,6H,1H3.
What are the key properties of 4-methyl-1-azacyclohepta-2,4,6,7-tetraene?
4-methyl-1-azacyclohepta-2,4,6,7-tetraene has a molecular weight of 105.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 71331630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).