8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

C11H8N4 — CID 57188674

IUPAC8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESc1ccc(-c2cncn3cnnc23)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-12-7-15-8-13-14-11(10)15/h1-8H
InChIKeyVCORNKSCNQZDSU-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.79
Rot. Bonds1

About 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 57188674) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID57188674
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESc1ccc(-c2cncn3cnnc23)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-12-7-15-8-13-14-11(10)15/h1-8H
InChIKeyVCORNKSCNQZDSU-UHFFFAOYSA-N
XLogP1.79
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329469
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
CID 5329470

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 57188674) is 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine is c1ccc(-c2cncn3cnnc23)cc1.
What is the InChIKey of 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is VCORNKSCNQZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9(5-3-1)10-6-12-7-15-8-13-14-11(10)15/h1-8H.
What are the key properties of 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine?
8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 196.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 57188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).