2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide

C11H17N5O3 — CID 66213760

IUPAC2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C11H17N5O3/c1-8(2)3-4-12-11(19)13-10(18)6-16-5-9(7-17)14-15-16/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,18,19)
InChIKeyQNMKIXABQFSKJD-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.04
Rot. Bonds6

About 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide

2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 66213760) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID66213760
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C11H17N5O3/c1-8(2)3-4-12-11(19)13-10(18)6-16-5-9(7-17)14-15-16/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,18,19)
InChIKeyQNMKIXABQFSKJD-UHFFFAOYSA-N
XLogP-0.04
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
methyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103107669
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide (CID 66213760) is 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)Cn1cc(C=O)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is QNMKIXABQFSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-8(2)3-4-12-11(19)13-10(18)6-16-5-9(7-17)14-15-16/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,18,19).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide?
2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 66213760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).