1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine

C8H17N5 — CID 82407020

IUPAC1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCc1nn(C)nc1C(CN)N(C)C
InChIInChI=1S/C8H17N5/c1-6-8(11-13(4)10-6)7(5-9)12(2)3/h7H,5,9H2,1-4H3
InChIKeyNGEHQCWEAGDXNS-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.32
Rot. Bonds3

About 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine

1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82407020) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID82407020
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCc1nn(C)nc1C(CN)N(C)C
InChIInChI=1S/C8H17N5/c1-6-8(11-13(4)10-6)7(5-9)12(2)3/h7H,5,9H2,1-4H3
InChIKeyNGEHQCWEAGDXNS-UHFFFAOYSA-N
XLogP-0.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine 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-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine (CID 82407020) is 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine is Cc1nn(C)nc1C(CN)N(C)C.
What is the InChIKey of 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is NGEHQCWEAGDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-6-8(11-13(4)10-6)7(5-9)12(2)3/h7H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine?
1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 183.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82407020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).