3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

C10H19N5O2 — CID 55115054

IUPAC3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CCOCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5O2/c1-7(2)3-5-17-6-4-12-9(16)8-13-10(11)15-14-8/h7H,3-6H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyWIIHQWNJXPGJIH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.18
Rot. Bonds7

About 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115054) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115054
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CCOCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5O2/c1-7(2)3-5-17-6-4-12-9(16)8-13-10(11)15-14-8/h7H,3-6H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyWIIHQWNJXPGJIH-UHFFFAOYSA-N
XLogP0.18
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide 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-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 55115054) is 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is CC(C)CCOCCNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WIIHQWNJXPGJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)3-5-17-6-4-12-9(16)8-13-10(11)15-14-8/h7H,3-6H2,1-2H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylbutoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).