4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C8H15N5O — CID 64531750

IUPAC4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c9-4-1-2-8(14)10-5-3-7-11-6-12-13-7/h6H,1-5,9H2,(H,10,14)(H,11,12,13)
InChIKeyAFVKLICHPBCCCP-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.80
Rot. Bonds6

About 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 64531750) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID64531750
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c9-4-1-2-8(14)10-5-3-7-11-6-12-13-7/h6H,1-5,9H2,(H,10,14)(H,11,12,13)
InChIKeyAFVKLICHPBCCCP-UHFFFAOYSA-N
XLogP-0.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide 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 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 64531750) is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is NCCCC(=O)NCCc1ncn[nH]1.
What is the InChIKey of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is AFVKLICHPBCCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-4-1-2-8(14)10-5-3-7-11-6-12-13-7/h6H,1-5,9H2,(H,10,14)(H,11,12,13).
What are the key properties of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 64531750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).