4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H17N7O — CID 80861941

IUPAC4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC2CCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17N7O/c1-2-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyKHXDIKUVKNGZOD-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.21
Rot. Bonds5

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

4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80861941) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80861941
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC2CCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17N7O/c1-2-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyKHXDIKUVKNGZOD-UHFFFAOYSA-N
XLogP1.21
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80877046
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80880717
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
N-methyl-4-(2-methylcyclohexyl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80844946
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80786268
4-N-ethyl-2-N-(thiolan-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80841679
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80861941) is 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OC2CCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is KHXDIKUVKNGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18).
What are the key properties of 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 275.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).