4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H16ClN7 — CID 62863333

IUPAC4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H16ClN7/c1-8-3-2-4-9(5-8)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h6-9H,2-5H2,1H3,(H,16,17,18,19)
InChIKeyDFMNSPAMPPFHSP-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.10
Rot. Bonds3

About 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62863333) has the molecular formula C12H16ClN7 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62863333
Molecular FormulaC12H16ClN7
Molecular Weight293.76 g/mol
Exact Mass293.12
IUPAC Name4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H16ClN7/c1-8-3-2-4-9(5-8)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h6-9H,2-5H2,1H3,(H,16,17,18,19)
InChIKeyDFMNSPAMPPFHSP-UHFFFAOYSA-N
XLogP2.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-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

4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864589
4-chloro-N-(1,1-dioxothiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869890
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630382
4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192252
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83020439
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62863333) is 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CC1CCCC(Nc2nc(Cl)nc(-n3cncn3)n2)C1.
What is the InChIKey of 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DFMNSPAMPPFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7/c1-8-3-2-4-9(5-8)16-11-17-10(13)18-12(19-11)20-7-14-6-15-20/h6-9H,2-5H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 293.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).