N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide

C12H15N5O2 — CID 56906235

IUPACN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-9-4-2-5-11(18)17(9)7-3-6-13-12(19)10-8-14-16-15-10/h2,4-5,8H,3,6-7H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyOTAVZAJNGKITNG-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.09
Rot. Bonds5

About N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide (PubChem CID 56906235) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide
PubChem CID56906235
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C12H15N5O2/c1-9-4-2-5-11(18)17(9)7-3-6-13-12(19)10-8-14-16-15-10/h2,4-5,8H,3,6-7H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyOTAVZAJNGKITNG-UHFFFAOYSA-N
XLogP0.09
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-cyclopropyl-1H-1,2,3-triazole-5-carboxamide
CID 61069826
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
CID 112733475
N-(1-fluoropropan-2-yl)-2H-triazole-4-carboxamide
CID 130921738
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone
CID 131026036
N-(1,1,1-trifluoropentan-3-yl)-2H-triazole-4-carboxamide
CID 132359860
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-butyl-2H-triazole-4-carboxamide
CID 54543134
N-[2-[methyl-[2-(2H-triazole-4-carbonylamino)ethyl]amino]ethyl]-2H-triazole-4-carboxamide
CID 57646347

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide (CID 56906235) is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide is Cc1cccc(=O)n1CCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide?
The InChIKey is OTAVZAJNGKITNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-4-2-5-11(18)17(9)7-3-6-13-12(19)10-8-14-16-15-10/h2,4-5,8H,3,6-7H2,1H3,(H,13,19)(H,14,15,16).
What are the key properties of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide?
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56906235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).