N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine

C15H20N4 — CID 103204177

IUPACN-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
SMILESCCC1CCCCC1Nc1nnc2ccccc2n1
InChIInChI=1S/C15H20N4/c1-2-11-7-3-4-8-12(11)16-15-17-13-9-5-6-10-14(13)18-19-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17,19)
InChIKeyJHEDSQFFMIXTNO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds3

About N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine

N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204177) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204177
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
SMILESCCC1CCCCC1Nc1nnc2ccccc2n1
InChIInChI=1S/C15H20N4/c1-2-11-7-3-4-8-12(11)16-15-17-13-9-5-6-10-14(13)18-19-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17,19)
InChIKeyJHEDSQFFMIXTNO-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine 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

N-(2-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63540099
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
CID 116795796
N-(2-ethylcyclopentyl)quinolin-3-amine
CID 113483363
N-(3-methyloxan-4-yl)-1,2,4-benzotriazin-3-amine
CID 114241071
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
N-(1,2,4-benzotriazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103204297
N-(2-ethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
CID 61469795
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
N-(2-ethylcyclopentyl)-6-fluoropyridin-2-amine
CID 115692088

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine (CID 103204177) is N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine is CCC1CCCCC1Nc1nnc2ccccc2n1.
What is the InChIKey of N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is JHEDSQFFMIXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-11-7-3-4-8-12(11)16-15-17-13-9-5-6-10-14(13)18-19-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17,19).
What are the key properties of N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine?
N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).