3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine

C14H20N6 — CID 57068804

IUPAC3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCCCc1nncc(-c2cnnc(CCCC)n2)n1
InChIInChI=1S/C14H20N6/c1-3-5-7-13-17-11(9-15-19-13)12-10-16-20-14(18-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyRCFOHFVTYIIMHC-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.41
Rot. Bonds7

About 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine

3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine (PubChem CID 57068804) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine
PubChem CID57068804
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCCCc1nncc(-c2cnnc(CCCC)n2)n1
InChIInChI=1S/C14H20N6/c1-3-5-7-13-17-11(9-15-19-13)12-10-16-20-14(18-12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyRCFOHFVTYIIMHC-UHFFFAOYSA-N
XLogP2.41
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine 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 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The IUPAC name of 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine (CID 57068804) is 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine.
What is the SMILES notation for 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The canonical SMILES for 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine is CCCCc1nncc(-c2cnnc(CCCC)n2)n1.
What is the InChIKey of 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The InChIKey is RCFOHFVTYIIMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-5-7-13-17-11(9-15-19-13)12-10-16-20-14(18-12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine has a molecular weight of 272.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-butyl-1,2,4-triazin-5-yl)-1,2,4-triazine is sourced from PubChem (CID 57068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).