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

C10H18N6O2 — CID 66215047

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C10H18N6O2/c1-3-4-12-10(18)13-9(17)7-16-6-8(5-11-2)14-15-16/h6,11H,3-5,7H2,1-2H3,(H2,12,13,17,18)
InChIKeyFCUDEVRSZWJSLK-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.77
Rot. Bonds6

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

2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 66215047) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID66215047
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C10H18N6O2/c1-3-4-12-10(18)13-9(17)7-16-6-8(5-11-2)14-15-16/h6,11H,3-5,7H2,1-2H3,(H2,12,13,17,18)
InChIKeyFCUDEVRSZWJSLK-UHFFFAOYSA-N
XLogP-0.77
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214231

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide (CID 66215047) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)Cn1cc(CNC)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is FCUDEVRSZWJSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-3-4-12-10(18)13-9(17)7-16-6-8(5-11-2)14-15-16/h6,11H,3-5,7H2,1-2H3,(H2,12,13,17,18).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 66215047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).