5-(2-methylimidazol-1-yl)-1-phenyltetrazole

C11H10N6 — CID 55239596

IUPAC5-(2-methylimidazol-1-yl)-1-phenyltetrazole
SMILESCc1nccn1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N6/c1-9-12-7-8-16(9)11-13-14-15-17(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyHWHMAUNTSFHGPO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.16
Rot. Bonds2

About 5-(2-methylimidazol-1-yl)-1-phenyltetrazole

5-(2-methylimidazol-1-yl)-1-phenyltetrazole (PubChem CID 55239596) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(2-methylimidazol-1-yl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(2-methylimidazol-1-yl)-1-phenyltetrazole
PubChem CID55239596
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name5-(2-methylimidazol-1-yl)-1-phenyltetrazole
SMILESCc1nccn1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N6/c1-9-12-7-8-16(9)11-13-14-15-17(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyHWHMAUNTSFHGPO-UHFFFAOYSA-N
XLogP1.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azanium 1-phenyltetrazole-5-thiolate
CID 15902281
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole
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1-(1-phenyltetrazol-5-yl)-1,2,4-triazole-3-carbonitrile
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1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
5-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1-phenyltetrazole
CID 51954889
5-(imidazol-1-ylmethyl)-1-phenyltetrazole
CID 36795770
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
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1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazol-1-yl)-1-phenyltetrazole?
The IUPAC name of 5-(2-methylimidazol-1-yl)-1-phenyltetrazole (CID 55239596) is 5-(2-methylimidazol-1-yl)-1-phenyltetrazole.
What is the SMILES notation for 5-(2-methylimidazol-1-yl)-1-phenyltetrazole?
The canonical SMILES for 5-(2-methylimidazol-1-yl)-1-phenyltetrazole is Cc1nccn1-c1nnnn1-c1ccccc1.
What is the InChIKey of 5-(2-methylimidazol-1-yl)-1-phenyltetrazole?
The InChIKey is HWHMAUNTSFHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-9-12-7-8-16(9)11-13-14-15-17(11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-(2-methylimidazol-1-yl)-1-phenyltetrazole?
5-(2-methylimidazol-1-yl)-1-phenyltetrazole has a molecular weight of 226.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazol-1-yl)-1-phenyltetrazole is sourced from PubChem (CID 55239596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).