6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine

C16H20N8 — CID 146040314

IUPAC6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCc1ccc2ncnc(N3CCN(CCn4cncn4)CC3)c2n1
InChIInChI=1S/C16H20N8/c1-13-2-3-14-15(21-13)16(19-11-18-14)23-7-4-22(5-8-23)6-9-24-12-17-10-20-24/h2-3,10-12H,4-9H2,1H3
InChIKeyQYEXYYBOXDAAFC-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.75
Rot. Bonds4

About 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine

6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine (PubChem CID 146040314) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine
PubChem CID146040314
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCc1ccc2ncnc(N3CCN(CCn4cncn4)CC3)c2n1
InChIInChI=1S/C16H20N8/c1-13-2-3-14-15(21-13)16(19-11-18-14)23-7-4-22(5-8-23)6-9-24-12-17-10-20-24/h2-3,10-12H,4-9H2,1H3
InChIKeyQYEXYYBOXDAAFC-UHFFFAOYSA-N
XLogP0.75
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine (CID 146040314) is 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine is Cc1ccc2ncnc(N3CCN(CCn4cncn4)CC3)c2n1.
What is the InChIKey of 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The InChIKey is QYEXYYBOXDAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-13-2-3-14-15(21-13)16(19-11-18-14)23-7-4-22(5-8-23)6-9-24-12-17-10-20-24/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine?
6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 146040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).