5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole

C5H4N10 — CID 57050118

IUPAC5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole
SMILESc1nc(-c2nn[nH]n2)cn1-c1nn[nH]n1
InChIInChI=1S/C5H4N10/c1-3(4-7-11-12-8-4)6-2-15(1)5-9-13-14-10-5/h1-2H,(H,7,8,11,12)(H,9,10,13,14)
InChIKeyNCQSLJQTHPAOGJ-UHFFFAOYSA-N
MW204.16 g/mol
LogP-1.43
Rot. Bonds2

About 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole

5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole (PubChem CID 57050118) has the molecular formula C5H4N10 and a molecular weight of 204.16 g/mol. Its IUPAC name is 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole
PubChem CID57050118
Molecular FormulaC5H4N10
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole
SMILESc1nc(-c2nn[nH]n2)cn1-c1nn[nH]n1
InChIInChI=1S/C5H4N10/c1-3(4-7-11-12-8-4)6-2-15(1)5-9-13-14-10-5/h1-2H,(H,7,8,11,12)(H,9,10,13,14)
InChIKeyNCQSLJQTHPAOGJ-UHFFFAOYSA-N
XLogP-1.43
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101
3,4-Dimethyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 18726637
5-methyl-3-(3-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53750869
5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53788225
1,5-bis(2H-triazol-4-yl)-1,2,4-triazole
CID 54333461
1,2-dimethyl-7-(2H-tetrazol-5-yl)-3,4-dihydroimidazo[2,1-c][1,2,4]triazine
CID 58095919
4-Ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 69248459
4-Ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 69250857
4-[1-(1,2,4-triazol-4-yl)imidazol-2-yl]-2H-triazole
CID 69805424
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 70985298
5-(3-methylimidazol-4-yl)-2H-tetrazole
CID 82896184
4-(1-methylimidazol-2-yl)-2H-triazole
CID 91095435

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole (CID 57050118) is 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole is c1nc(-c2nn[nH]n2)cn1-c1nn[nH]n1.
What is the InChIKey of 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole?
The InChIKey is NCQSLJQTHPAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N10/c1-3(4-7-11-12-8-4)6-2-15(1)5-9-13-14-10-5/h1-2H,(H,7,8,11,12)(H,9,10,13,14).
What are the key properties of 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole?
5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole has a molecular weight of 204.16 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 57050118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).