3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide

C7H12N6O2 — CID 62053982

IUPAC3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
SMILESNCc1cn(CCC(=O)NC(N)=O)nn1
InChIInChI=1S/C7H12N6O2/c8-3-5-4-13(12-11-5)2-1-6(14)10-7(9)15/h4H,1-3,8H2,(H3,9,10,14,15)
InChIKeyMTSMSXIGNSBRRE-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.68
Rot. Bonds4

About 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide

3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide (PubChem CID 62053982) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
PubChem CID62053982
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
SMILESNCc1cn(CCC(=O)NC(N)=O)nn1
InChIInChI=1S/C7H12N6O2/c8-3-5-4-13(12-11-5)2-1-6(14)10-7(9)15/h4H,1-3,8H2,(H3,9,10,14,15)
InChIKeyMTSMSXIGNSBRRE-UHFFFAOYSA-N
XLogP-1.68
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide 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

3-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 170144500
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide (CID 62053982) is 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide is NCc1cn(CCC(=O)NC(N)=O)nn1.
What is the InChIKey of 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide?
The InChIKey is MTSMSXIGNSBRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c8-3-5-4-13(12-11-5)2-1-6(14)10-7(9)15/h4H,1-3,8H2,(H3,9,10,14,15).
What are the key properties of 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide?
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide has a molecular weight of 212.21 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 62053982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).