N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide

C12H13N5O2 — CID 154876515

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C1Cc2cccnc2C1
InChIInChI=1S/C12H13N5O2/c18-11(14-6-10-15-12(19)17-16-10)8-4-7-2-1-3-13-9(7)5-8/h1-3,8H,4-6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyTVDUTGOPMYSEBM-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.48
Rot. Bonds3

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide (PubChem CID 154876515) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
PubChem CID154876515
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C1Cc2cccnc2C1
InChIInChI=1S/C12H13N5O2/c18-11(14-6-10-15-12(19)17-16-10)8-4-7-2-1-3-13-9(7)5-8/h1-3,8H,4-6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyTVDUTGOPMYSEBM-UHFFFAOYSA-N
XLogP-0.48
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide (CID 154876515) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide is O=C(NCc1n[nH]c(=O)[nH]1)C1Cc2cccnc2C1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide?
The InChIKey is TVDUTGOPMYSEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-11(14-6-10-15-12(19)17-16-10)8-4-7-2-1-3-13-9(7)5-8/h1-3,8H,4-6H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide has a molecular weight of 259.27 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide is sourced from PubChem (CID 154876515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).