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

C11H14ClN7 — CID 62869193

IUPAC4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H14ClN7/c12-9-16-10(15-8-4-2-1-3-5-8)18-11(17-9)19-7-13-6-14-19/h6-8H,1-5H2,(H,15,16,17,18)
InChIKeyDYWUIXCGEBVBGT-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.85
Rot. Bonds3

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

4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62869193) has the molecular formula C11H14ClN7 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62869193
Molecular FormulaC11H14ClN7
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H14ClN7/c12-9-16-10(15-8-4-2-1-3-5-8)18-11(17-9)19-7-13-6-14-19/h6-8H,1-5H2,(H,15,16,17,18)
InChIKeyDYWUIXCGEBVBGT-UHFFFAOYSA-N
XLogP1.85
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62869193) is 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Clc1nc(NC2CCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DYWUIXCGEBVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7/c12-9-16-10(15-8-4-2-1-3-5-8)18-11(17-9)19-7-13-6-14-19/h6-8H,1-5H2,(H,15,16,17,18).
What are the key properties of 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).