7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C9H13N7 — CID 70985298

IUPAC7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2nc(-c3nn[nH]n3)cn2CCN1C
InChIInChI=1S/C9H13N7/c1-6-9-10-7(8-11-13-14-12-8)5-16(9)4-3-15(6)2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyHPPUPEHQTMVJCZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.07
Rot. Bonds1

About 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 70985298) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID70985298
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2nc(-c3nn[nH]n3)cn2CCN1C
InChIInChI=1S/C9H13N7/c1-6-9-10-7(8-11-13-14-12-8)5-16(9)4-3-15(6)2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyHPPUPEHQTMVJCZ-UHFFFAOYSA-N
XLogP0.07
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,7,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 58095828
5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625424
4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine
CID 70254569
1-methyl-2-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 155962208
[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid
CID 135625415
1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 166734558
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 162214030
6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625423
7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155839386
2-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 19701356
[1-hydroxy-2-[2-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]ethyl]phosphonic acid
CID 67940771

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 70985298) is 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2nc(-c3nn[nH]n3)cn2CCN1C.
What is the InChIKey of 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is HPPUPEHQTMVJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-6-9-10-7(8-11-13-14-12-8)5-16(9)4-3-15(6)2/h5-6H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 219.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 70985298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).