3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

C13H18N4 — CID 5150405

IUPAC3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCCCN1CNc2nc3ccccc3n2C1
InChIInChI=1S/C13H18N4/c1-2-3-8-16-9-14-13-15-11-6-4-5-7-12(11)17(13)10-16/h4-7H,2-3,8-10H2,1H3,(H,14,15)
InChIKeyQYONFXYRTVMNHP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds3

About 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 5150405) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID5150405
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCCCN1CNc2nc3ccccc3n2C1
InChIInChI=1S/C13H18N4/c1-2-3-8-16-9-14-13-15-11-6-4-5-7-12(11)17(13)10-16/h4-7H,2-3,8-10H2,1H3,(H,14,15)
InChIKeyQYONFXYRTVMNHP-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole 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

3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
CID 941931
N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline
CID 8003424
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
1-butyl-3-[2-(4-chlorophenoxy)ethyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 8812925
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 135797532
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (CID 5150405) is 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is CCCCN1CNc2nc3ccccc3n2C1.
What is the InChIKey of 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is QYONFXYRTVMNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-8-16-9-14-13-15-11-6-4-5-7-12(11)17(13)10-16/h4-7H,2-3,8-10H2,1H3,(H,14,15).
What are the key properties of 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 5150405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).