7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

C13H10Cl2N4 — CID 65426482

IUPAC7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(Cc3cccc(Cl)c3)n12
InChIInChI=1S/C13H10Cl2N4/c1-8-16-11(15)7-13-18-17-12(19(8)13)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3
InChIKeyAXNSSCPOCWLQEA-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.33
Rot. Bonds2

About 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65426482) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65426482
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(Cc3cccc(Cl)c3)n12
InChIInChI=1S/C13H10Cl2N4/c1-8-16-11(15)7-13-18-17-12(19(8)13)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3
InChIKeyAXNSSCPOCWLQEA-UHFFFAOYSA-N
XLogP3.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-[(3,4-dichlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425914
7-chloro-3-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425926
3-(chloromethyl)-5-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115398657
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303
3-(bromomethyl)-5-[(3-chlorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113302273
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
CID 6457710
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141938
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
7-chloro-3-(2-fluoro-6-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65432875
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]aniline
CID 79817681
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65426482) is 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(Cl)cc2nnc(Cc3cccc(Cl)c3)n12.
What is the InChIKey of 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is AXNSSCPOCWLQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-8-16-11(15)7-13-18-17-12(19(8)13)6-9-3-2-4-10(14)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 293.16 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(3-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).