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

C10H17N5O — CID 63330026

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CCNC1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)3-5-12-10(16)8-2-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyQADCLTGHGLSLFZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.92
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63330026) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63330026
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CCNC1
InChIInChI=1S/C10H17N5O/c1-15-7-13-14-9(15)3-5-12-10(16)8-2-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyQADCLTGHGLSLFZ-UHFFFAOYSA-N
XLogP-0.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 63330026) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is Cn1cnnc1CCNC(=O)C1CCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QADCLTGHGLSLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-7-13-14-9(15)3-5-12-10(16)8-2-4-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63330026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).