N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

C10H18N6O2 — CID 66192957

IUPACN-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)NC(=O)NC)nn1
InChIInChI=1S/C10H18N6O2/c1-3-4-12-5-8-6-16(15-14-8)7-9(17)13-10(18)11-2/h6,12H,3-5,7H2,1-2H3,(H2,11,13,17,18)
InChIKeyOUFZBPUWYFIIKP-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.77
Rot. Bonds6

About N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66192957) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
PubChem CID66192957
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)NC(=O)NC)nn1
InChIInChI=1S/C10H18N6O2/c1-3-4-12-5-8-6-16(15-14-8)7-9(17)13-10(18)11-2/h6,12H,3-5,7H2,1-2H3,(H2,11,13,17,18)
InChIKeyOUFZBPUWYFIIKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66193137
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193921
1-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]pyrrolidin-2-one
CID 66193160
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (CID 66192957) is N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is CCCNCc1cn(CC(=O)NC(=O)NC)nn1.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is OUFZBPUWYFIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-3-4-12-5-8-6-16(15-14-8)7-9(17)13-10(18)11-2/h6,12H,3-5,7H2,1-2H3,(H2,11,13,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]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 N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66192957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).