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

C10H7ClN4 — CID 748270

IUPAC6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C10H7ClN4/c1-6-12-13-10-8-5-3-2-4-7(8)9(11)14-15(6)10/h2-5H,1H3
InChIKeyKBOSDDNHLXFFIB-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.24
Rot. Bonds

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

6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 748270) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID748270
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(Cl)nn12
InChIInChI=1S/C10H7ClN4/c1-6-12-13-10-8-5-3-2-4-7(8)9(11)14-15(6)10/h2-5H,1H3
InChIKeyKBOSDDNHLXFFIB-UHFFFAOYSA-N
XLogP2.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 748270) is 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3ccccc3c(Cl)nn12.
What is the InChIKey of 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is KBOSDDNHLXFFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c1-6-12-13-10-8-5-3-2-4-7(8)9(11)14-15(6)10/h2-5H,1H3.
What are the key properties of 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 218.65 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 748270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).