7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine

C19H19N9 — CID 163346665

IUPAC7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1cc(N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)ncn1
InChIInChI=1S/C19H19N9/c1-14-11-16(21-12-20-14)26-7-9-27(10-8-26)18-17-19(23-13-22-18)28(25-24-17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3
InChIKeyREZVKBQGNYLAGP-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.64
Rot. Bonds3

About 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine

7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 163346665) has the molecular formula C19H19N9 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID163346665
Molecular FormulaC19H19N9
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCc1cc(N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)ncn1
InChIInChI=1S/C19H19N9/c1-14-11-16(21-12-20-14)26-7-9-27(10-8-26)18-17-19(23-13-22-18)28(25-24-17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3
InChIKeyREZVKBQGNYLAGP-UHFFFAOYSA-N
XLogP1.64
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[4-(6-methylpyrimidin-4-yl)piperazin-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
N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
CID 30680638
7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 171334834
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
1-[4-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961970
naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 42523067
1-[4-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 16811334
[4-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41244926
3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine
CID 108773534
7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 154582914
7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844861
(2-methylsulfonylphenyl)-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 26844747

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine (CID 163346665) is 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine is Cc1cc(N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)ncn1.
What is the InChIKey of 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is REZVKBQGNYLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9/c1-14-11-16(21-12-20-14)26-7-9-27(10-8-26)18-17-19(23-13-22-18)28(25-24-17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 373.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 163346665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).