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

C7H13N5O — CID 103815068

IUPAC3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ncn[nH]1
InChIInChI=1S/C7H13N5O/c1-5(7-9-4-10-12-7)11-6(13)2-3-8/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12)
InChIKeyOAOMGKXHHBLMQX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.67
Rot. Bonds4

About 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103815068) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103815068
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ncn[nH]1
InChIInChI=1S/C7H13N5O/c1-5(7-9-4-10-12-7)11-6(13)2-3-8/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12)
InChIKeyOAOMGKXHHBLMQX-UHFFFAOYSA-N
XLogP-0.67
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282651
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282590
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
3-(2-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 107329630
3-(2-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725941
3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(3-aminophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281064
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103815068) is 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is CC(NC(=O)CCN)c1ncn[nH]1.
What is the InChIKey of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is OAOMGKXHHBLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5(7-9-4-10-12-7)11-6(13)2-3-8/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12).
What are the key properties of 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103815068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).