formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide

C14H25N5O3 — CID 154909775

IUPACformic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)NCCc1ncnn1C.O=CO
InChIInChI=1S/C13H23N5O.CH2O2/c1-11(9-18-7-3-4-8-18)13(19)14-6-5-12-15-10-16-17(12)2;2-1-3/h10-11H,3-9H2,1-2H3,(H,14,19);1H,(H,2,3)
InChIKeyJCDLNURAVBVVHT-UHFFFAOYSA-N
MW311.39 g/mol
LogP-0.09
Rot. Bonds6

About formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide

formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 154909775) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Nameformic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID154909775
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Nameformic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)NCCc1ncnn1C.O=CO
InChIInChI=1S/C13H23N5O.CH2O2/c1-11(9-18-7-3-4-8-18)13(19)14-6-5-12-15-10-16-17(12)2;2-1-3/h10-11H,3-9H2,1-2H3,(H,14,19);1H,(H,2,3)
InChIKeyJCDLNURAVBVVHT-UHFFFAOYSA-N
XLogP-0.09
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-0.09
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

(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 55202680
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63330026
3-[Ethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 63330569
3-[Ethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63330572
2-Methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 63330605
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63331162
2-Methyl-3-[methyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 63331249
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63713854
4-Methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63722185
1-tert-butyl-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70744867
3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 76174855
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78955812

Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide (CID 154909775) is formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide is CC(CN1CCCC1)C(=O)NCCc1ncnn1C.O=CO.
What is the InChIKey of formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is JCDLNURAVBVVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.CH2O2/c1-11(9-18-7-3-4-8-18)13(19)14-6-5-12-15-10-16-17(12)2;2-1-3/h10-11H,3-9H2,1-2H3,(H,14,19);1H,(H,2,3).
What are the key properties of formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide?
formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 311.39 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 154909775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).