2-(2-phenylpropan-2-yl)tetrazole

C10H12N4 — CID 19388301

IUPAC2-(2-phenylpropan-2-yl)tetrazole
SMILESCC(C)(c1ccccc1)n1ncnn1
InChIInChI=1S/C10H12N4/c1-10(2,14-12-8-11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCPLTXTPAULSQEC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.46
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)tetrazole

2-(2-phenylpropan-2-yl)tetrazole (PubChem CID 19388301) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)tetrazole
PubChem CID19388301
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(2-phenylpropan-2-yl)tetrazole
SMILESCC(C)(c1ccccc1)n1ncnn1
InChIInChI=1S/C10H12N4/c1-10(2,14-12-8-11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCPLTXTPAULSQEC-UHFFFAOYSA-N
XLogP1.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Phenylmethyl)-2H-tetrazol-5-amine
CID 562401
3-(3,4-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833450
3-(3,4-dimethylphenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 49833634
2-Benzyl-2H-tetrazole
CID 14782917
2-Trityltetrazole
CID 15501108
2-Benzyl-5-methyltetrazole
CID 59496916
2-[1-Fluoro-1,1-bis(4-methylphenyl)propan-2-yl]tetrazole
CID 20043666
2-[1-Fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]tetrazole
CID 20043695
2-[1,1-Bis(3,4-difluorophenyl)-1-fluoropropan-2-yl]tetrazole
CID 20043718
N,N-dimethyl-3-(tetrazol-2-yl)-3-(2,4,5-trifluorophenyl)propan-1-amine
CID 44540805
3-(2,5-difluorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
CID 44540900
2-[(3S)-4-methyl-3-(2,4,6-trifluorophenyl)pentyl]tetrazole
CID 58439509

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)tetrazole?
The IUPAC name of 2-(2-phenylpropan-2-yl)tetrazole (CID 19388301) is 2-(2-phenylpropan-2-yl)tetrazole.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)tetrazole?
The canonical SMILES for 2-(2-phenylpropan-2-yl)tetrazole is CC(C)(c1ccccc1)n1ncnn1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)tetrazole?
The InChIKey is CPLTXTPAULSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-10(2,14-12-8-11-13-14)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)tetrazole?
2-(2-phenylpropan-2-yl)tetrazole has a molecular weight of 188.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)tetrazole is sourced from PubChem (CID 19388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).