1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine

C8H12N8 — CID 58095919

IUPAC1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine
SMILESCN1CCn2cc(-c3nn[nH]n3)nc2N1C
InChIInChI=1S/C8H12N8/c1-14-3-4-16-5-6(7-10-12-13-11-7)9-8(16)15(14)2/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyCPBLAOOJAUTUOR-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.64
Rot. Bonds1

About 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine

1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine (PubChem CID 58095919) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine.

Molecular Properties

Compound Name1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine
PubChem CID58095919
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine
SMILESCN1CCn2cc(-c3nn[nH]n3)nc2N1C
InChIInChI=1S/C8H12N8/c1-14-3-4-16-5-6(7-10-12-13-11-7)9-8(16)15(14)2/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyCPBLAOOJAUTUOR-UHFFFAOYSA-N
XLogP-0.64
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine
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5-(3,3-difluoropyrrolidin-1-yl)-2H-triazolo[4,5-d]pyrimidine
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(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 156847163
5,8-Dimethyl-10-(2,2,2-trifluoroethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 167296101
5-[1-(trifluoromethyl)cyclopropyl]-10-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 167296102
1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1H-imidazole dihydrochloride
CID 137698595
7-(5-fluoropyrimidin-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467508
7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471197
7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
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2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 167906945

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine?
The IUPAC name of 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine (CID 58095919) is 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine.
What is the SMILES notation for 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine?
The canonical SMILES for 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine is CN1CCn2cc(-c3nn[nH]n3)nc2N1C.
What is the InChIKey of 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine?
The InChIKey is CPBLAOOJAUTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-14-3-4-16-5-6(7-10-12-13-11-7)9-8(16)15(14)2/h5H,3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine?
1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine has a molecular weight of 220.24 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine is sourced from PubChem (CID 58095919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).