5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide

C10H17N5O — CID 82211172

IUPAC5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1CCN1CCCC1
InChIInChI=1S/C10H17N5O/c1-8-9(10(11)16)12-13-15(8)7-6-14-4-2-3-5-14/h2-7H2,1H3,(H2,11,16)
InChIKeyPPNQFKYIUXPHEL-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.22
Rot. Bonds4

About 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide

5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 82211172) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
PubChem CID82211172
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1CCN1CCCC1
InChIInChI=1S/C10H17N5O/c1-8-9(10(11)16)12-13-15(8)7-6-14-4-2-3-5-14/h2-7H2,1H3,(H2,11,16)
InChIKeyPPNQFKYIUXPHEL-UHFFFAOYSA-N
XLogP-0.22
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide (CID 82211172) is 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide is Cc1c(C(N)=O)nnn1CCN1CCCC1.
What is the InChIKey of 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is PPNQFKYIUXPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-9(10(11)16)12-13-15(8)7-6-14-4-2-3-5-14/h2-7H2,1H3,(H2,11,16).
What are the key properties of 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide?
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 82211172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).