5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine

C13H10N6 — CID 135427226

IUPAC5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine
SMILESCc1nc2nc[nH]c2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyMGPAPZZAOLVOQS-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.98
Rot. Bonds1

About 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine

5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine (PubChem CID 135427226) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine.

Molecular Properties

Compound Name5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine
PubChem CID135427226
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine
SMILESCc1nc2nc[nH]c2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyMGPAPZZAOLVOQS-UHFFFAOYSA-N
XLogP1.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzylaminopurine
CID 62389
Vactosertib
CID 54766013
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
4-(2-(1H-Imidazol-4-YL)ethylamino)-2-(phenylamino)pyrazolo(1,5-A)(1,3,5)triazine-8-carbonitrile
CID 24779678
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
N6-Benzyl-9H-purine-2,6-diamine
CID 16409607
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
Vlx-600
CID 6410104
6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6413301

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine?
The IUPAC name of 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine (CID 135427226) is 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine.
What is the SMILES notation for 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine?
The canonical SMILES for 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine is Cc1nc2nc[nH]c2c2nc(-c3ccccc3)nn12.
What is the InChIKey of 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine?
The InChIKey is MGPAPZZAOLVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine?
5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine has a molecular weight of 250.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-phenyl-1H-[1,2,4]triazolo[5,1-f]purine is sourced from PubChem (CID 135427226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).