N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

C10H17N5O — CID 43706298

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)c1nncn1C
InChIInChI=1S/C10H17N5O/c1-7(9-14-12-6-15(9)2)13-10(16)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,13,16)
InChIKeyKACMLDXLEXIMFI-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.26
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 43706298) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID43706298
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)c1nncn1C
InChIInChI=1S/C10H17N5O/c1-7(9-14-12-6-15(9)2)13-10(16)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,13,16)
InChIKeyKACMLDXLEXIMFI-UHFFFAOYSA-N
XLogP-0.26
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 43706298) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KACMLDXLEXIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(9-14-12-6-15(9)2)13-10(16)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3,(H,13,16).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43706298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).