[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C19H20N6O — CID 120732299

IUPAC[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCNCC3c3cccnc3)c2)n[nH]1
InChIInChI=1S/C19H20N6O/c1-13-22-18(24-23-13)14-4-2-5-15(10-14)19(26)25-9-8-21-12-17(25)16-6-3-7-20-11-16/h2-7,10-11,17,21H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyZVQIRFQPPYGBML-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.96
Rot. Bonds3

About [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120732299) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120732299
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCNCC3c3cccnc3)c2)n[nH]1
InChIInChI=1S/C19H20N6O/c1-13-22-18(24-23-13)14-4-2-5-15(10-14)19(26)25-9-8-21-12-17(25)16-6-3-7-20-11-16/h2-7,10-11,17,21H,8-9,12H2,1H3,(H,22,23,24)
InChIKeyZVQIRFQPPYGBML-UHFFFAOYSA-N
XLogP1.96
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
CID 120737836
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730321
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120732299) is [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1nc(-c2cccc(C(=O)N3CCNCC3c3cccnc3)c2)n[nH]1.
What is the InChIKey of [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is ZVQIRFQPPYGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-22-18(24-23-13)14-4-2-5-15(10-14)19(26)25-9-8-21-12-17(25)16-6-3-7-20-11-16/h2-7,10-11,17,21H,8-9,12H2,1H3,(H,22,23,24).
What are the key properties of [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120732299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).