6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine

C16H11ClN4O — CID 712689

IUPAC6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1
InChIInChI=1S/C16H11ClN4O/c1-22-11-8-6-10(7-9-11)15-18-19-16-13-5-3-2-4-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyZHGVCXDOKBSJBV-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.61
Rot. Bonds2

About 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 712689) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID712689
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1
InChIInChI=1S/C16H11ClN4O/c1-22-11-8-6-10(7-9-11)15-18-19-16-13-5-3-2-4-12(13)14(17)20-21(15)16/h2-9H,1H3
InChIKeyZHGVCXDOKBSJBV-UHFFFAOYSA-N
XLogP3.61
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 110171513
3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372475
6-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236093
3-(4-methoxyphenyl)-N-[4-(2-methyltetrazol-5-yl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11496094
cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid
CID 67549528
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 86236091
8-chloro-5-(4-methoxyphenyl)-10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 86678114
4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]-N-phenylbenzamide
CID 67549849
N-[3-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 11683462
3-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 3071214
6-chloro-3-(4-methoxyphenyl)-7-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 139227350
2-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-3-(2H-tetrazol-5-yl)aniline
CID 66703883

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 712689) is 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is ZHGVCXDOKBSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-22-11-8-6-10(7-9-11)15-18-19-16-13-5-3-2-4-12(13)14(17)20-21(15)16/h2-9H,1H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 310.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 712689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).