7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine

C15H14N6 — CID 171334834

IUPAC7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
SMILESC1=CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C15H14N6/c1-3-7-12(8-4-1)21-15-13(18-19-21)14(16-11-17-15)20-9-5-2-6-10-20/h1-5,7-8,11H,6,9-10H2
InChIKeyMNTFURZZAHRTKX-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.98
Rot. Bonds2

About 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine

7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 171334834) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID171334834
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
SMILESC1=CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C15H14N6/c1-3-7-12(8-4-1)21-15-13(18-19-21)14(16-11-17-15)20-9-5-2-6-10-20/h1-5,7-8,11H,6,9-10H2
InChIKeyMNTFURZZAHRTKX-UHFFFAOYSA-N
XLogP1.98
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methylsulfonylpiperazin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844856
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 163346665
N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
CID 30680638
7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844861
naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 42523067
7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 154582914
3-cyclopentyl-1-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 26844732
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
N,3-diphenyltriazolo[4,5-d]pyrimidin-7-amine
CID 12587858
(2-methylsulfonylphenyl)-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 26844747
3-cyclohexyl-1-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 41232644
[2-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl] acetate
CID 42523097

Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine (CID 171334834) is 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine is C1=CCN(c2ncnc3c2nnn3-c2ccccc2)CC1.
What is the InChIKey of 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is MNTFURZZAHRTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-3-7-12(8-4-1)21-15-13(18-19-21)14(16-11-17-15)20-9-5-2-6-10-20/h1-5,7-8,11H,6,9-10H2.
What are the key properties of 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine?
7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 278.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 171334834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).