3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine

C19H19ClN6O — CID 25309243

IUPAC3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cc1
InChIInChI=1S/C19H19ClN6O/c1-27-16-5-2-14(3-6-16)17-13-22-24-19(23-17)26-10-8-25(9-11-26)18-7-4-15(20)12-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyVOMNEQZSCPHPQV-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine

3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 25309243) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine
PubChem CID25309243
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cc1
InChIInChI=1S/C19H19ClN6O/c1-27-16-5-2-14(3-6-16)17-13-22-24-19(23-17)26-10-8-25(9-11-26)18-7-4-15(20)12-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyVOMNEQZSCPHPQV-UHFFFAOYSA-N
XLogP2.92
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine (CID 25309243) is 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2cnnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)cc1.
What is the InChIKey of 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is VOMNEQZSCPHPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-27-16-5-2-14(3-6-16)17-13-22-24-19(23-17)26-10-8-25(9-11-26)18-7-4-15(20)12-21-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine?
3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 382.86 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 25309243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).