[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

C19H21N7O — CID 70714057

IUPAC[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1
InChIInChI=1S/C19H21N7O/c1-15-3-2-5-20-17(15)12-24-7-9-25(10-8-24)19(27)16-4-6-21-18(11-16)26-13-22-23-14-26/h2-6,11,13-14H,7-10,12H2,1H3
InChIKeyHFAVAVXLNREMPE-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.32
Rot. Bonds4

About [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (PubChem CID 70714057) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
PubChem CID70714057
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1
InChIInChI=1S/C19H21N7O/c1-15-3-2-5-20-17(15)12-24-7-9-25(10-8-24)19(27)16-4-6-21-18(11-16)26-13-22-23-14-26/h2-6,11,13-14H,7-10,12H2,1H3
InChIKeyHFAVAVXLNREMPE-UHFFFAOYSA-N
XLogP1.32
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74245609
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129043284
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone
CID 72886799
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70719021
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 133111868
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (CID 70714057) is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is Cc1cccnc1CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)CC1.
What is the InChIKey of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is HFAVAVXLNREMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-15-3-2-5-20-17(15)12-24-7-9-25(10-8-24)19(27)16-4-6-21-18(11-16)26-13-22-23-14-26/h2-6,11,13-14H,7-10,12H2,1H3.
What are the key properties of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 363.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 70714057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).