7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C11H5Cl3N4 — CID 43327109

IUPAC7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1ccc(-c2nnc3cc(Cl)ncn23)c(Cl)c1
InChIInChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-4-9(14)15-5-18(10)11/h1-5H
InChIKeyQRYKTPQCSPFCJU-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.75
Rot. Bonds1

About 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43327109) has the molecular formula C11H5Cl3N4 and a molecular weight of 299.55 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43327109
Molecular FormulaC11H5Cl3N4
Molecular Weight299.55 g/mol
Exact Mass297.96
IUPAC Name7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1ccc(-c2nnc3cc(Cl)ncn23)c(Cl)c1
InChIInChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-4-9(14)15-5-18(10)11/h1-5H
InChIKeyQRYKTPQCSPFCJU-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
7-chloro-3-(2,4-difluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 113396511
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144489
7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144463
4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
5-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 81442362

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43327109) is 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1ccc(-c2nnc3cc(Cl)ncn23)c(Cl)c1.
What is the InChIKey of 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is QRYKTPQCSPFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4/c12-6-1-2-7(8(13)3-6)11-17-16-10-4-9(14)15-5-18(10)11/h1-5H.
What are the key properties of 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 299.55 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43327109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).