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

C13H19N7O — CID 80844946

IUPACN-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC2CCCCC2C)nc(-n2cncn2)n1
InChIInChI=1S/C13H19N7O/c1-9-5-3-4-6-10(9)21-13-18-11(14-2)17-12(19-13)20-8-15-7-16-20/h7-10H,3-6H2,1-2H3,(H,14,17,18,19)
InChIKeyMVZHJWYXPKMWHF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.45
Rot. Bonds4

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

N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80844946) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80844946
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC2CCCCC2C)nc(-n2cncn2)n1
InChIInChI=1S/C13H19N7O/c1-9-5-3-4-6-10(9)21-13-18-11(14-2)17-12(19-13)20-8-15-7-16-20/h7-10H,3-6H2,1-2H3,(H,14,17,18,19)
InChIKeyMVZHJWYXPKMWHF-UHFFFAOYSA-N
XLogP1.45
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80844946) is N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(OC2CCCCC2C)nc(-n2cncn2)n1.
What is the InChIKey of N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MVZHJWYXPKMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-5-3-4-6-10(9)21-13-18-11(14-2)17-12(19-13)20-8-15-7-16-20/h7-10H,3-6H2,1-2H3,(H,14,17,18,19).
What are the key properties of N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).