7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

C13H12ClN5 — CID 65428791

IUPAC7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccc(-c2nnc3cc(Cl)nc(C)n23)c(C)n1
InChIInChI=1S/C13H12ClN5/c1-7-4-5-10(8(2)15-7)13-18-17-12-6-11(14)16-9(3)19(12)13/h4-6H,1-3H3
InChIKeyWVMNZFSXDNFKBN-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.76
Rot. Bonds1

About 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65428791) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65428791
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccc(-c2nnc3cc(Cl)nc(C)n23)c(C)n1
InChIInChI=1S/C13H12ClN5/c1-7-4-5-10(8(2)15-7)13-18-17-12-6-11(14)16-9(3)19(12)13/h4-6H,1-3H3
InChIKeyWVMNZFSXDNFKBN-UHFFFAOYSA-N
XLogP2.76
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428049
3-(5-bromo-2-chlorophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428008
3-(2-bromo-3-methylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 114023908
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428011
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303
7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 104670912
7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428590
6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 65426667
7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426301

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65428791) is 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1ccc(-c2nnc3cc(Cl)nc(C)n23)c(C)n1.
What is the InChIKey of 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is WVMNZFSXDNFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-7-4-5-10(8(2)15-7)13-18-17-12-6-11(14)16-9(3)19(12)13/h4-6H,1-3H3.
What are the key properties of 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 273.73 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65428791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).