3-cyclohexylpyrido[3,4-e][1,2,4]triazine

C12H14N4 — CID 516600

IUPAC3-cyclohexylpyrido[3,4-e][1,2,4]triazine
SMILESc1cc2nnc(C3CCCCC3)nc2cn1
InChIInChI=1S/C12H14N4/c1-2-4-9(5-3-1)12-14-11-8-13-7-6-10(11)15-16-12/h6-9H,1-5H2
InChIKeyAJBBGDNWIVFDFK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.47
Rot. Bonds1

About 3-cyclohexylpyrido[3,4-e][1,2,4]triazine

3-cyclohexylpyrido[3,4-e][1,2,4]triazine (PubChem CID 516600) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyclohexylpyrido[3,4-e][1,2,4]triazine.

Molecular Properties

Compound Name3-cyclohexylpyrido[3,4-e][1,2,4]triazine
PubChem CID516600
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-cyclohexylpyrido[3,4-e][1,2,4]triazine
SMILESc1cc2nnc(C3CCCCC3)nc2cn1
InChIInChI=1S/C12H14N4/c1-2-4-9(5-3-1)12-14-11-8-13-7-6-10(11)15-16-12/h6-9H,1-5H2
InChIKeyAJBBGDNWIVFDFK-UHFFFAOYSA-N
XLogP2.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexylpyrido[3,4-e][1,2,4]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
CID 170009095
2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
CID 170363664
2-cyclohexylquinazoline
CID 22611708
3-cycloheptyl-4-methylpyridine
CID 146408954
5-chloro-3-cyclohexyl-1,2,4-triazine
CID 116823809
4-cyclohexyl-6-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879025
3-cyclohexyl-N-methyl-1,2,4-triazin-5-amine
CID 116823977
6-cyclopentylisoquinoline
CID 154662765
2-(2-cyclohexylphenoxy)-1,6-naphthyridine
CID 167050185
2-cyclooctyl-1,3,5-triazine
CID 68552573
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
(E)-N,N-dimethyl-2-pyrido[3,4-e][1,2,4]triazin-3-ylethenamine
CID 6450955

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpyrido[3,4-e][1,2,4]triazine?
The IUPAC name of 3-cyclohexylpyrido[3,4-e][1,2,4]triazine (CID 516600) is 3-cyclohexylpyrido[3,4-e][1,2,4]triazine.
What is the SMILES notation for 3-cyclohexylpyrido[3,4-e][1,2,4]triazine?
The canonical SMILES for 3-cyclohexylpyrido[3,4-e][1,2,4]triazine is c1cc2nnc(C3CCCCC3)nc2cn1.
What is the InChIKey of 3-cyclohexylpyrido[3,4-e][1,2,4]triazine?
The InChIKey is AJBBGDNWIVFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-9(5-3-1)12-14-11-8-13-7-6-10(11)15-16-12/h6-9H,1-5H2.
What are the key properties of 3-cyclohexylpyrido[3,4-e][1,2,4]triazine?
3-cyclohexylpyrido[3,4-e][1,2,4]triazine has a molecular weight of 214.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyrido[3,4-e][1,2,4]triazine is sourced from PubChem (CID 516600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).