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

C12H16N4 — CID 941931

IUPAC3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCC(C)N1CNc2nc3ccccc3n2C1
InChIInChI=1S/C12H16N4/c1-9(2)15-7-13-12-14-10-5-3-4-6-11(10)16(12)8-15/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyFWTUBIMXHVVJAR-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.09
Rot. Bonds1

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

3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 941931) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID941931
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCC(C)N1CNc2nc3ccccc3n2C1
InChIInChI=1S/C12H16N4/c1-9(2)15-7-13-12-14-10-5-3-4-6-11(10)16(12)8-15/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyFWTUBIMXHVVJAR-UHFFFAOYSA-N
XLogP2.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
CID 5150405
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 135797532
(3S)-3-propan-2-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 138979401
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 137012185
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (CID 941931) is 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is CC(C)N1CNc2nc3ccccc3n2C1.
What is the InChIKey of 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is FWTUBIMXHVVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)15-7-13-12-14-10-5-3-4-6-11(10)16(12)8-15/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 216.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 941931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).