3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine

C10H20N4 — CID 61387751

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C)n(CCCNC(C)C)n1
InChIInChI=1S/C10H20N4/c1-8(2)11-6-5-7-14-10(4)12-9(3)13-14/h8,11H,5-7H2,1-4H3
InChIKeyIYOSGYVYDZWKKW-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.28
Rot. Bonds5

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 61387751) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID61387751
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C)n(CCCNC(C)C)n1
InChIInChI=1S/C10H20N4/c1-8(2)11-6-5-7-14-10(4)12-9(3)13-14/h8,11H,5-7H2,1-4H3
InChIKeyIYOSGYVYDZWKKW-UHFFFAOYSA-N
XLogP1.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-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 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine (CID 61387751) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(C)n(CCCNC(C)C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is IYOSGYVYDZWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)11-6-5-7-14-10(4)12-9(3)13-14/h8,11H,5-7H2,1-4H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 61387751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).