(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C16H22N6O2 — CID 146039788

IUPAC(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H22N6O2/c1-13-9-14(15(24-2)10-18-13)16(23)21-6-3-20(4-7-21)5-8-22-12-17-11-19-22/h9-12H,3-8H2,1-2H3
InChIKeyLHVHOLPWPJTMEY-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.45
Rot. Bonds5

About (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 146039788) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID146039788
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C16H22N6O2/c1-13-9-14(15(24-2)10-18-13)16(23)21-6-3-20(4-7-21)5-8-22-12-17-11-19-22/h9-12H,3-8H2,1-2H3
InChIKeyLHVHOLPWPJTMEY-UHFFFAOYSA-N
XLogP0.45
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 119059176
(5-chloro-2-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907336
(5-methoxy-2-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 146042393
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 171913809
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146040720
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
8-(5-methoxy-2-methylpyridine-4-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172665856
1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91840554
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
(2S)-2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 97140521
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 146039788) is (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is COc1cnc(C)cc1C(=O)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is LHVHOLPWPJTMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-13-9-14(15(24-2)10-18-13)16(23)21-6-3-20(4-7-21)5-8-22-12-17-11-19-22/h9-12H,3-8H2,1-2H3.
What are the key properties of (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 146039788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).