6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine

C15H11N5 — CID 1266914

IUPAC6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccncc3)nnc2c2ccccc12
InChIInChI=1S/C15H11N5/c1-10-12-4-2-3-5-13(12)15-18-17-14(20(15)19-10)11-6-8-16-9-7-11/h2-9H,1H3
InChIKeyOORANODXPOOSAC-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.65
Rot. Bonds1

About 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine

6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1266914) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1266914
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nn2c(-c3ccncc3)nnc2c2ccccc12
InChIInChI=1S/C15H11N5/c1-10-12-4-2-3-5-13(12)15-18-17-14(20(15)19-10)11-6-8-16-9-7-11/h2-9H,1H3
InChIKeyOORANODXPOOSAC-UHFFFAOYSA-N
XLogP2.65
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 1266914) is 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nn2c(-c3ccncc3)nnc2c2ccccc12.
What is the InChIKey of 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is OORANODXPOOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-10-12-4-2-3-5-13(12)15-18-17-14(20(15)19-10)11-6-8-16-9-7-11/h2-9H,1H3.
What are the key properties of 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine?
6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 261.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1266914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).