1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole

C9H8N8 — CID 57225080

IUPAC1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
SMILESCn1nnnc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C9H8N8/c1-16-8(10-12-14-16)9-11-13-15-17(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyAWXOLPLWNRXAHV-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.15
Rot. Bonds2

About 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole

1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole (PubChem CID 57225080) has the molecular formula C9H8N8 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
PubChem CID57225080
Molecular FormulaC9H8N8
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
SMILESCn1nnnc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C9H8N8/c1-16-8(10-12-14-16)9-11-13-15-17(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyAWXOLPLWNRXAHV-UHFFFAOYSA-N
XLogP-0.15
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-1-[5-(1-phenyltetrazol-5-yl)tetrazol-1-yl]methanamine
CID 139677860
1-methyl-3-(1-phenyltetrazol-5-yl)quinolin-4-one
CID 822915
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
1-phenyltetrazole-5-selenol
CID 173399228
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
azanium 1-phenyltetrazole-5-thiolate
CID 15902281
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole?
The IUPAC name of 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole (CID 57225080) is 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole.
What is the SMILES notation for 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole?
The canonical SMILES for 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole is Cn1nnnc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole?
The InChIKey is AWXOLPLWNRXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8/c1-16-8(10-12-14-16)9-11-13-15-17(9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole?
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole has a molecular weight of 228.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole is sourced from PubChem (CID 57225080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).