1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine

C9H15N7 — CID 79542148

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C9H15N7/c1-4-7-9(10)13-14-16(7)5-8-12-11-6(2)15(8)3/h4-5,10H2,1-3H3
InChIKeyPFKCYGMBCJSFMB-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.09
Rot. Bonds3

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

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79542148) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine
PubChem CID79542148
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C9H15N7/c1-4-7-9(10)13-14-16(7)5-8-12-11-6(2)15(8)3/h4-5,10H2,1-3H3
InChIKeyPFKCYGMBCJSFMB-UHFFFAOYSA-N
XLogP-0.09
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-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 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine (CID 79542148) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1nnc(C)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is PFKCYGMBCJSFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-4-7-9(10)13-14-16(7)5-8-12-11-6(2)15(8)3/h4-5,10H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 221.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).