N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide

C10H17N5O — CID 166235016

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1n[nH]c(CNC(=O)N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-2-8-12-9(14-13-8)7-11-10(16)15-5-3-4-6-15/h2-7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyCNPWTVWOAKDXOR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds3

About N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 166235016) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID166235016
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1n[nH]c(CNC(=O)N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-2-8-12-9(14-13-8)7-11-10(16)15-5-3-4-6-15/h2-7H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyCNPWTVWOAKDXOR-UHFFFAOYSA-N
XLogP0.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 166235016) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide is CCc1n[nH]c(CNC(=O)N2CCCC2)n1.
What is the InChIKey of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is CNPWTVWOAKDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-8-12-9(14-13-8)7-11-10(16)15-5-3-4-6-15/h2-7H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166235016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).