3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C15H16N10 — CID 17229325

IUPAC3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCc1nnc(C)n1N1CN(n2cnnc2)c2nc3ccccc3n2C1
InChIInChI=1S/C15H16N10/c1-11-19-20-12(2)25(11)22-9-23-14-6-4-3-5-13(14)18-15(23)24(10-22)21-7-16-17-8-21/h3-8H,9-10H2,1-2H3
InChIKeyHFJDLVQMPZCEAH-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.67
Rot. Bonds2

About 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 17229325) has the molecular formula C15H16N10 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID17229325
Molecular FormulaC15H16N10
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCc1nnc(C)n1N1CN(n2cnnc2)c2nc3ccccc3n2C1
InChIInChI=1S/C15H16N10/c1-11-19-20-12(2)25(11)22-9-23-14-6-4-3-5-13(14)18-15(23)24(10-22)21-7-16-17-8-21/h3-8H,9-10H2,1-2H3
InChIKeyHFJDLVQMPZCEAH-UHFFFAOYSA-N
XLogP0.67
TPSA85.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole with MolForge

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Related Compounds

1-benzyl-3-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 17198478
3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 17229349
3-[[(2R)-oxolan-2-yl]methyl]-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 29103270
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-9-phenyl-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 17190685
(9R)-9-[(1S)-cyclohex-3-en-1-yl]-4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 124677528
9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene
CID 10356714
1,3-dimethyl-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-2-one;ethane
CID 145225527
trimethyl-(2-methylbenzimidazol-1-yl)silane
CID 12646875
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-N-methylethanamine
CID 15142712
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
2-methyl-N-phenylbenzimidazol-1-amine
CID 15532784

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 17229325) is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is Cc1nnc(C)n1N1CN(n2cnnc2)c2nc3ccccc3n2C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is HFJDLVQMPZCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N10/c1-11-19-20-12(2)25(11)22-9-23-14-6-4-3-5-13(14)18-15(23)24(10-22)21-7-16-17-8-21/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 336.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 17229325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).