5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine

C6H7N3 — CID 134266560

IUPAC5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine
SMILESCC1=NC=C=NC=C1N
InChIInChI=1S/C6H7N3/c1-5-6(7)4-8-2-3-9-5/h3-4H,7H2,1H3
InChIKeyULWNSINNTXPUQL-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.44
Rot. Bonds

About 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine

5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine (PubChem CID 134266560) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine.

Molecular Properties

Compound Name5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine
PubChem CID134266560
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine
SMILESCC1=NC=C=NC=C1N
InChIInChI=1S/C6H7N3/c1-5-6(7)4-8-2-3-9-5/h3-4H,7H2,1H3
InChIKeyULWNSINNTXPUQL-UHFFFAOYSA-N
XLogP0.44
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine?
The IUPAC name of 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine (CID 134266560) is 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine.
What is the SMILES notation for 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine?
The canonical SMILES for 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine is CC1=NC=C=NC=C1N.
What is the InChIKey of 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine?
The InChIKey is ULWNSINNTXPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-6(7)4-8-2-3-9-5/h3-4H,7H2,1H3.
What are the key properties of 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine?
5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine has a molecular weight of 121.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraen-6-amine is sourced from PubChem (CID 134266560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).