5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine

C11H8ClN5 — CID 23258932

IUPAC5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1nc(Cl)nc2c1nnn2-c1ccccc1
InChIInChI=1S/C11H8ClN5/c1-7-9-10(14-11(12)13-7)17(16-15-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyLMCBUXLNFVVGAY-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.17
Rot. Bonds1

About 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine

5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 23258932) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID23258932
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1nc(Cl)nc2c1nnn2-c1ccccc1
InChIInChI=1S/C11H8ClN5/c1-7-9-10(14-11(12)13-7)17(16-15-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyLMCBUXLNFVVGAY-UHFFFAOYSA-N
XLogP2.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-phenyltriazolo[4,5-d]pyrimidine
CID 14006342
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 14006330
7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
6-(4-chlorophenyl)-5-(diethylamino)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 11632614
5,7-diamino-3-phenyltriazolo[4,5-b]pyridine-6-carbonitrile
CID 155816991
5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 102154310
2-[(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)amino]ethanol
CID 13290926
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
CID 13381785
12-(4-methoxyphenyl)-8-methyl-5-phenyl-11-oxa-3,4,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-10-one
CID 164576832
5-(4-methylphenoxy)-3-phenyl-6-propan-2-yltriazolo[4,5-d]pyrimidin-7-one
CID 91050864
5-methyl-1-phenyltriazol-4-ol
CID 15257136

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine (CID 23258932) is 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine is Cc1nc(Cl)nc2c1nnn2-c1ccccc1.
What is the InChIKey of 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is LMCBUXLNFVVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-9-10(14-11(12)13-7)17(16-15-9)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine?
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 245.67 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 23258932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).