5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

C10H17N7 — CID 79542536

IUPAC5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1nnc(N)c1CC
InChIInChI=1S/C10H17N7/c1-3-5-16-9(12-7-13-16)6-17-8(4-2)10(11)14-15-17/h7H,3-6,11H2,1-2H3
InChIKeyYKVVASKEFOUCTB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.47
Rot. Bonds5

About 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542536) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79542536
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1nnc(N)c1CC
InChIInChI=1S/C10H17N7/c1-3-5-16-9(12-7-13-16)6-17-8(4-2)10(11)14-15-17/h7H,3-6,11H2,1-2H3
InChIKeyYKVVASKEFOUCTB-UHFFFAOYSA-N
XLogP0.47
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-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 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79542536) is 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CCCn1ncnc1Cn1nnc(N)c1CC.
What is the InChIKey of 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is YKVVASKEFOUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-5-16-9(12-7-13-16)6-17-8(4-2)10(11)14-15-17/h7H,3-6,11H2,1-2H3.
What are the key properties of 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).