3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine

C10H11N3 — CID 142959398

IUPAC3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine
SMILESCc1nnc2c(n1)C=CC(C)C=C2
InChIInChI=1S/C10H11N3/c1-7-3-5-9-10(6-4-7)13-12-8(2)11-9/h3-7H,1-2H3
InChIKeyRTQWHLSYWFAGTK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.86
Rot. Bonds

About 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine

3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine (PubChem CID 142959398) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine.

Molecular Properties

Compound Name3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine
PubChem CID142959398
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine
SMILESCc1nnc2c(n1)C=CC(C)C=C2
InChIInChI=1S/C10H11N3/c1-7-3-5-9-10(6-4-7)13-12-8(2)11-9/h3-7H,1-2H3
InChIKeyRTQWHLSYWFAGTK-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 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine?
The IUPAC name of 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine (CID 142959398) is 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine.
What is the SMILES notation for 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine?
The canonical SMILES for 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine is Cc1nnc2c(n1)C=CC(C)C=C2.
What is the InChIKey of 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine?
The InChIKey is RTQWHLSYWFAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-3-5-9-10(6-4-7)13-12-8(2)11-9/h3-7H,1-2H3.
What are the key properties of 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine?
3,7-dimethyl-7H-cyclohepta[e][1,2,4]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 3,7-dimethyl-7H-cyclohepta[e][1,2,4]triazine is sourced from PubChem (CID 142959398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).