4,7-dimethyl-7H-cyclohepta[d]triazine

C10H11N3 — CID 143728431

IUPAC4,7-dimethyl-7H-cyclohepta[d]triazine
SMILESCc1nnnc2c1C=CC(C)C=C2
InChIInChI=1S/C10H11N3/c1-7-3-5-9-8(2)11-13-12-10(9)6-4-7/h3-7H,1-2H3
InChIKeyXAESRFYPBKMXSK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.86
Rot. Bonds

About 4,7-dimethyl-7H-cyclohepta[d]triazine

4,7-dimethyl-7H-cyclohepta[d]triazine (PubChem CID 143728431) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4,7-dimethyl-7H-cyclohepta[d]triazine.

Molecular Properties

Compound Name4,7-dimethyl-7H-cyclohepta[d]triazine
PubChem CID143728431
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4,7-dimethyl-7H-cyclohepta[d]triazine
SMILESCc1nnnc2c1C=CC(C)C=C2
InChIInChI=1S/C10H11N3/c1-7-3-5-9-8(2)11-13-12-10(9)6-4-7/h3-7H,1-2H3
InChIKeyXAESRFYPBKMXSK-UHFFFAOYSA-N
XLogP1.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-7H-cyclohepta[d]triazine?
The IUPAC name of 4,7-dimethyl-7H-cyclohepta[d]triazine (CID 143728431) is 4,7-dimethyl-7H-cyclohepta[d]triazine.
What is the SMILES notation for 4,7-dimethyl-7H-cyclohepta[d]triazine?
The canonical SMILES for 4,7-dimethyl-7H-cyclohepta[d]triazine is Cc1nnnc2c1C=CC(C)C=C2.
What is the InChIKey of 4,7-dimethyl-7H-cyclohepta[d]triazine?
The InChIKey is XAESRFYPBKMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-3-5-9-8(2)11-13-12-10(9)6-4-7/h3-7H,1-2H3.
What are the key properties of 4,7-dimethyl-7H-cyclohepta[d]triazine?
4,7-dimethyl-7H-cyclohepta[d]triazine has a molecular weight of 173.22 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-7H-cyclohepta[d]triazine is sourced from PubChem (CID 143728431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).