3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine

C9H13N3 — CID 13117517

IUPAC3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
SMILESCc1nnc2c(n1)CCCCC2
InChIInChI=1S/C9H13N3/c1-7-10-8-5-3-2-4-6-9(8)12-11-7/h2-6H2,1H3
InChIKeyDUVPAPQEGSUYSF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.45
Rot. Bonds

About 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine

3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine (PubChem CID 13117517) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
PubChem CID13117517
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine
SMILESCc1nnc2c(n1)CCCCC2
InChIInChI=1S/C9H13N3/c1-7-10-8-5-3-2-4-6-9(8)12-11-7/h2-6H2,1H3
InChIKeyDUVPAPQEGSUYSF-UHFFFAOYSA-N
XLogP1.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine (CID 13117517) is 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine is Cc1nnc2c(n1)CCCCC2.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
The InChIKey is DUVPAPQEGSUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-10-8-5-3-2-4-6-9(8)12-11-7/h2-6H2,1H3.
What are the key properties of 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine?
3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine has a molecular weight of 163.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazine is sourced from PubChem (CID 13117517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).