5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide

C16H16N6O — CID 75508286

IUPAC5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C16H16N6O/c1-11-9-19-13(10-18-11)16(23)17-8-7-14-20-15(22-21-14)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,23)(H,20,21,22)
InChIKeyODABBNKCNVMMLK-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.54
Rot. Bonds5

About 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide

5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 75508286) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
PubChem CID75508286
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1
InChIInChI=1S/C16H16N6O/c1-11-9-19-13(10-18-11)16(23)17-8-7-14-20-15(22-21-14)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,23)(H,20,21,22)
InChIKeyODABBNKCNVMMLK-UHFFFAOYSA-N
XLogP1.54
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 46354883
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
1-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 86793946
(3R,5S)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 72911098
trans-(1S,2S)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99789608
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 126815135
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide (CID 75508286) is 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1.
What is the InChIKey of 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ODABBNKCNVMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-9-19-13(10-18-11)16(23)17-8-7-14-20-15(22-21-14)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,23)(H,20,21,22).
What are the key properties of 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75508286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).