1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide

C13H17N5O — CID 71836691

IUPAC1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C13H17N5O/c1-17-7-4-5-10(17)13(19)14-9-12-16-15-11-6-2-3-8-18(11)12/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,19)
InChIKeyMXGCLAXCOSXMNN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.88
Rot. Bonds3

About 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide

1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 71836691) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID71836691
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C13H17N5O/c1-17-7-4-5-10(17)13(19)14-9-12-16-15-11-6-2-3-8-18(11)12/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,19)
InChIKeyMXGCLAXCOSXMNN-UHFFFAOYSA-N
XLogP0.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 71836691) is 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1nnc2n1CCCC2.
What is the InChIKey of 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is MXGCLAXCOSXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-7-4-5-10(17)13(19)14-9-12-16-15-11-6-2-3-8-18(11)12/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,19).
What are the key properties of 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71836691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).