7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C10H7ClN6 — CID 104670912

IUPAC7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3ccnnc3)n12
InChIInChI=1S/C10H7ClN6/c1-6-14-8(11)4-9-15-16-10(17(6)9)7-2-3-12-13-5-7/h2-5H,1H3
InChIKeyBKJAIFZDGOGULV-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.54
Rot. Bonds1

About 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 104670912) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID104670912
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3ccnnc3)n12
InChIInChI=1S/C10H7ClN6/c1-6-14-8(11)4-9-15-16-10(17(6)9)7-2-3-12-13-5-7/h2-5H,1H3
InChIKeyBKJAIFZDGOGULV-UHFFFAOYSA-N
XLogP1.54
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426301
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
6-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 65426667
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-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428011
7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428791
7-chloro-5-methyl-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428049
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65426303
7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428590
3-(5-bromo-2-chlorophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428008
3-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 42631944

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 104670912) is 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(Cl)cc2nnc(-c3ccnnc3)n12.
What is the InChIKey of 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is BKJAIFZDGOGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c1-6-14-8(11)4-9-15-16-10(17(6)9)7-2-3-12-13-5-7/h2-5H,1H3.
What are the key properties of 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 246.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 104670912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).