2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C11H13N9O — CID 106424400

IUPAC2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1noc(CCNc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C11H13N9O/c1-7-15-8(21-19-7)3-5-13-10-16-9(12)17-11(18-10)20-6-2-4-14-20/h2,4,6H,3,5H2,1H3,(H3,12,13,16,17,18)
InChIKeyPNLAXMWAWSLDFW-UHFFFAOYSA-N
MW287.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106424400) has the molecular formula C11H13N9O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106424400
Molecular FormulaC11H13N9O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1noc(CCNc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C11H13N9O/c1-7-15-8(21-19-7)3-5-13-10-16-9(12)17-11(18-10)20-6-2-4-14-20/h2,4,6H,3,5H2,1H3,(H3,12,13,16,17,18)
InChIKeyPNLAXMWAWSLDFW-UHFFFAOYSA-N
XLogP-0.01
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine 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 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 106424400) is 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Cc1noc(CCNc2nc(N)nc(-n3cccn3)n2)n1.
What is the InChIKey of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PNLAXMWAWSLDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N9O/c1-7-15-8(21-19-7)3-5-13-10-16-9(12)17-11(18-10)20-6-2-4-14-20/h2,4,6H,3,5H2,1H3,(H3,12,13,16,17,18).
What are the key properties of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106424400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).