N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

C10H18N4 — CID 61338730

IUPACN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H18N4/c1-7(2)11-6-5-9-12-10(14-13-9)8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKNLPKEBDGKJGQY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (PubChem CID 61338730) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
PubChem CID61338730
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H18N4/c1-7(2)11-6-5-9-12-10(14-13-9)8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyKNLPKEBDGKJGQY-UHFFFAOYSA-N
XLogP1.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-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-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (CID 61338730) is N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(C2CC2)n[nH]1.
What is the InChIKey of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The InChIKey is KNLPKEBDGKJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)11-6-5-9-12-10(14-13-9)8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61338730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).