2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide

C9H16N6O2 — CID 55029749

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H16N6O2/c1-2-3-11-9(17)12-8(16)6-15-5-7(4-10)13-14-15/h5H,2-4,6,10H2,1H3,(H2,11,12,16,17)
InChIKeyQUCCLVOSSBCFBF-UHFFFAOYSA-N
MW240.27 g/mol
LogP-1.03
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 55029749) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID55029749
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H16N6O2/c1-2-3-11-9(17)12-8(16)6-15-5-7(4-10)13-14-15/h5H,2-4,6,10H2,1H3,(H2,11,12,16,17)
InChIKeyQUCCLVOSSBCFBF-UHFFFAOYSA-N
XLogP-1.03
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
CID 62056005
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide (CID 55029749) is 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is QUCCLVOSSBCFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-2-3-11-9(17)12-8(16)6-15-5-7(4-10)13-14-15/h5H,2-4,6,10H2,1H3,(H2,11,12,16,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 240.27 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 55029749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).