N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide

C11H10N6O — CID 166878526

IUPACN-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCC(NC=O)c1ncnn1-c1cc(C#N)ccn1
InChIInChI=1S/C11H10N6O/c1-8(15-7-18)11-14-6-16-17(11)10-4-9(5-12)2-3-13-10/h2-4,6-8H,1H3,(H,15,18)
InChIKeyULJRPUMITMLUFJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.34
Rot. Bonds4

About N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide

N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide (PubChem CID 166878526) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide
PubChem CID166878526
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC NameN-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCC(NC=O)c1ncnn1-c1cc(C#N)ccn1
InChIInChI=1S/C11H10N6O/c1-8(15-7-18)11-14-6-16-17(11)10-4-9(5-12)2-3-13-10/h2-4,6-8H,1H3,(H,15,18)
InChIKeyULJRPUMITMLUFJ-UHFFFAOYSA-N
XLogP0.34
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-chloro-N-[(1R)-1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-methylsulfonylbenzamide;sulfane
CID 160609591
3-bromo-N-[(1S)-1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethoxy)benzamide
CID 164935967
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878613
3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,4,5-trifluorobenzamide
CID 162496253
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
3-cyano-N-[(1S)-1-[2-(5-fluoropyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 135185441
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3-fluoro-5-(trifluoromethyl)benzamide;sulfane
CID 163604754
3-bromo-5-chloro-N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 146486802
N-[(1R)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide;sulfane
CID 161132358
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487252

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide?
The IUPAC name of N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide (CID 166878526) is N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide?
The canonical SMILES for N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide is CC(NC=O)c1ncnn1-c1cc(C#N)ccn1.
What is the InChIKey of N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide?
The InChIKey is ULJRPUMITMLUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-8(15-7-18)11-14-6-16-17(11)10-4-9(5-12)2-3-13-10/h2-4,6-8H,1H3,(H,15,18).
What are the key properties of N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide?
N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide has a molecular weight of 242.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide is sourced from PubChem (CID 166878526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).