(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C19H20N6O2 — CID 91913590

IUPAC(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C19H20N6O2/c1-27-14-6-4-5-13(11-14)19(26)25-10-3-2-7-16(25)18-22-17(23-24-18)15-12-20-8-9-21-15/h4-6,8-9,11-12,16H,2-3,7,10H2,1H3,(H,22,23,24)
InChIKeyFTJIZKMKKRIJNI-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds4

About (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 91913590) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID91913590
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C19H20N6O2/c1-27-14-6-4-5-13(11-14)19(26)25-10-3-2-7-16(25)18-22-17(23-24-18)15-12-20-8-9-21-15/h4-6,8-9,11-12,16H,2-3,7,10H2,1H3,(H,22,23,24)
InChIKeyFTJIZKMKKRIJNI-UHFFFAOYSA-N
XLogP2.64
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)-[(2R)-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92599438
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379
(2,5-dimethoxyphenyl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110082710
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892005
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
(2-methoxy-3-pyridinyl)-[(2R)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 97063239
2-phenoxy-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 68687362
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
(3-methoxyphenyl)-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110236146
[(2R)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95110744

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 91913590) is (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is FTJIZKMKKRIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-14-6-4-5-13(11-14)19(26)25-10-3-2-7-16(25)18-22-17(23-24-18)15-12-20-8-9-21-15/h4-6,8-9,11-12,16H,2-3,7,10H2,1H3,(H,22,23,24).
What are the key properties of (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91913590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).