1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine

C12H17N5 — CID 84794669

IUPAC1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine
SMILESCc1nc2ncc(C3(N)CCCCC3)cn2n1
InChIInChI=1S/C12H17N5/c1-9-15-11-14-7-10(8-17(11)16-9)12(13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3
InChIKeyWVIUBFFTYWUKJK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds1

About 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine

1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine (PubChem CID 84794669) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine
PubChem CID84794669
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine
SMILESCc1nc2ncc(C3(N)CCCCC3)cn2n1
InChIInChI=1S/C12H17N5/c1-9-15-11-14-7-10(8-17(11)16-9)12(13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3
InChIKeyWVIUBFFTYWUKJK-UHFFFAOYSA-N
XLogP1.55
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine (CID 84794669) is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine is Cc1nc2ncc(C3(N)CCCCC3)cn2n1.
What is the InChIKey of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine?
The InChIKey is WVIUBFFTYWUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-15-11-14-7-10(8-17(11)16-9)12(13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3.
What are the key properties of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine?
1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 84794669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).