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

C7H14N4 — CID 62447380

IUPACN,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCNCC(C)Cn1cncn1
InChIInChI=1S/C7H14N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-8H,3-4H2,1-2H3
InChIKeyUURLMYGEMIXXSV-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.13
Rot. Bonds4

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

N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 62447380) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID62447380
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESCNCC(C)Cn1cncn1
InChIInChI=1S/C7H14N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-8H,3-4H2,1-2H3
InChIKeyUURLMYGEMIXXSV-UHFFFAOYSA-N
XLogP0.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-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 N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 62447380) is N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is CNCC(C)Cn1cncn1.
What is the InChIKey of N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is UURLMYGEMIXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-8H,3-4H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine?
N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 62447380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).