5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C9H11N11 — CID 135625424

IUPAC5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC1C(c2nn[nH]n2)CNc2nc(-c3nn[nH]n3)cn21
InChIInChI=1S/C9H11N11/c1-4-5(7-12-16-17-13-7)2-10-9-11-6(3-20(4)9)8-14-18-19-15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyZIPSSYVBZOLCGA-UHFFFAOYSA-N
MW273.26 g/mol
LogP-0.65
Rot. Bonds2

About 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 135625424) has the molecular formula C9H11N11 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID135625424
Molecular FormulaC9H11N11
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC1C(c2nn[nH]n2)CNc2nc(-c3nn[nH]n3)cn21
InChIInChI=1S/C9H11N11/c1-4-5(7-12-16-17-13-7)2-10-9-11-6(3-20(4)9)8-14-18-19-15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19)
InChIKeyZIPSSYVBZOLCGA-UHFFFAOYSA-N
XLogP-0.65
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-methoxy-2,5-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 135625423
[2-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl]phosphonamidic acid
CID 135625415
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 70985298
5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 135625439
1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 166734558
5-[(4R)-3-methylimidazolidin-4-yl]-2H-tetrazole
CID 143474553
5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole
CID 70105061
5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole
CID 125486164
5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron
CID 174858020
5-(2,3-dihydro-1H-inden-2-yl)-2H-tetrazole
CID 65415499
5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole
CID 125485731
5-(5-methylcyclohepta-1,3,6-trien-1-yl)-2H-tetrazole
CID 143622116

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 135625424) is 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC1C(c2nn[nH]n2)CNc2nc(-c3nn[nH]n3)cn21.
What is the InChIKey of 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is ZIPSSYVBZOLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N11/c1-4-5(7-12-16-17-13-7)2-10-9-11-6(3-20(4)9)8-14-18-19-15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,13,16,17)(H,14,15,18,19).
What are the key properties of 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 273.26 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-bis(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 135625424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).