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

C19H20N6O2 — CID 120733399

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H20N6O2/c1-27-17-5-3-2-4-15(17)16-11-20-8-9-24(16)19(26)14-6-7-22-18(10-14)25-13-21-12-23-25/h2-7,10,12-13,16,20H,8-9,11H2,1H3
InChIKeyVZELDXZBHUNUPO-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.46
Rot. Bonds4

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

[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 120733399) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID120733399
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H20N6O2/c1-27-17-5-3-2-4-15(17)16-11-20-8-9-24(16)19(26)14-6-7-22-18(10-14)25-13-21-12-23-25/h2-7,10,12-13,16,20H,8-9,11H2,1H3
InChIKeyVZELDXZBHUNUPO-UHFFFAOYSA-N
XLogP1.46
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 120733399) is [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is COc1ccccc1C1CNCCN1C(=O)c1ccnc(-n2cncn2)c1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is VZELDXZBHUNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-17-5-3-2-4-15(17)16-11-20-8-9-24(16)19(26)14-6-7-22-18(10-14)25-13-21-12-23-25/h2-7,10,12-13,16,20H,8-9,11H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 120733399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).