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

C15H15ClN4 — CID 110173071

IUPAC6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESClc1nn2c(C3CCCCC3)nnc2c2ccccc12
InChIInChI=1S/C15H15ClN4/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyWNWNULBSAUHOJV-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.98
Rot. Bonds1

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

6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 110173071) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID110173071
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESClc1nn2c(C3CCCCC3)nnc2c2ccccc12
InChIInChI=1S/C15H15ClN4/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyWNWNULBSAUHOJV-UHFFFAOYSA-N
XLogP3.98
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 110173071) is 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine is Clc1nn2c(C3CCCCC3)nnc2c2ccccc12.
What is the InChIKey of 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is WNWNULBSAUHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 286.77 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 110173071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).