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

C13H20N8 — CID 80831390

IUPAC4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CC(C)CCC2C)nc(-n2cncn2)n1
InChIInChI=1S/C13H20N8/c1-9-4-5-10(2)20(6-9)12-17-11(14-3)18-13(19-12)21-8-15-7-16-21/h7-10H,4-6H2,1-3H3,(H,14,17,18,19)
InChIKeySRSQBDBIUBDGEV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.12
Rot. Bonds3

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

4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80831390) has the molecular formula C13H20N8 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80831390
Molecular FormulaC13H20N8
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CC(C)CCC2C)nc(-n2cncn2)n1
InChIInChI=1S/C13H20N8/c1-9-4-5-10(2)20(6-9)12-17-11(14-3)18-13(19-12)21-8-15-7-16-21/h7-10H,4-6H2,1-3H3,(H,14,17,18,19)
InChIKeySRSQBDBIUBDGEV-UHFFFAOYSA-N
XLogP1.12
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80831390) is 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(N2CC(C)CCC2C)nc(-n2cncn2)n1.
What is the InChIKey of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SRSQBDBIUBDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8/c1-9-4-5-10(2)20(6-9)12-17-11(14-3)18-13(19-12)21-8-15-7-16-21/h7-10H,4-6H2,1-3H3,(H,14,17,18,19).
What are the key properties of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80831390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).