N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C12H16N6 — CID 155941768

IUPACN-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESc1nc(NC2CCCCC2)cc(-n2cncn2)n1
InChIInChI=1S/C12H16N6/c1-2-4-10(5-3-1)17-11-6-12(15-8-14-11)18-9-13-7-16-18/h6-10H,1-5H2,(H,14,15,17)
InChIKeyTYNOMEFTZSLQLQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.80
Rot. Bonds3

About N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 155941768) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID155941768
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESc1nc(NC2CCCCC2)cc(-n2cncn2)n1
InChIInChI=1S/C12H16N6/c1-2-4-10(5-3-1)17-11-6-12(15-8-14-11)18-9-13-7-16-18/h6-10H,1-5H2,(H,14,15,17)
InChIKeyTYNOMEFTZSLQLQ-UHFFFAOYSA-N
XLogP1.80
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 155941768) is N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is c1nc(NC2CCCCC2)cc(-n2cncn2)n1.
What is the InChIKey of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is TYNOMEFTZSLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-4-10(5-3-1)17-11-6-12(15-8-14-11)18-9-13-7-16-18/h6-10H,1-5H2,(H,14,15,17).
What are the key properties of N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 155941768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).