N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide

C10H11N5O2 — CID 47341950

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn[nH]n2)ccc1=O
InChIInChI=1S/C10H11N5O2/c1-2-15-6-7(3-4-9(15)16)12-10(17)8-5-11-14-13-8/h3-6H,2H2,1H3,(H,12,17)(H,11,13,14)
InChIKeyKMZXAMPLNQCLLP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.24
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide (PubChem CID 47341950) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide
PubChem CID47341950
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn[nH]n2)ccc1=O
InChIInChI=1S/C10H11N5O2/c1-2-15-6-7(3-4-9(15)16)12-10(17)8-5-11-14-13-8/h3-6H,2H2,1H3,(H,12,17)(H,11,13,14)
InChIKeyKMZXAMPLNQCLLP-UHFFFAOYSA-N
XLogP0.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 56906235
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-butyl-2H-triazole-4-carboxamide
CID 54543134
N,N-Dimethyl-1H-1,2,3-triazole-5-carboxamide
CID 54553410
N-[2-[methyl-[2-(2H-triazole-4-carbonylamino)ethyl]amino]ethyl]-2H-triazole-4-carboxamide
CID 57646347
N-propan-2-yl-2H-triazole-4-carboxamide
CID 61070011

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide (CID 47341950) is N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide is CCn1cc(NC(=O)c2cn[nH]n2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide?
The InChIKey is KMZXAMPLNQCLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-15-6-7(3-4-9(15)16)12-10(17)8-5-11-14-13-8/h3-6H,2H2,1H3,(H,12,17)(H,11,13,14).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47341950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).