1-(5-phenyltetrazol-2-yl)propan-2-yl acetate

C12H14N4O2 — CID 139247475

IUPAC1-(5-phenyltetrazol-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-9(18-10(2)17)8-16-14-12(13-15-16)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyHSZWYNAXOKFSFP-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.29
Rot. Bonds4

About 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate

1-(5-phenyltetrazol-2-yl)propan-2-yl acetate (PubChem CID 139247475) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate.

Molecular Properties

Compound Name1-(5-phenyltetrazol-2-yl)propan-2-yl acetate
PubChem CID139247475
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(5-phenyltetrazol-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4O2/c1-9(18-10(2)17)8-16-14-12(13-15-16)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyHSZWYNAXOKFSFP-UHFFFAOYSA-N
XLogP1.29
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanoic acid
CID 2892535
Ethyl (5-phenyl-2H-tetrazol-2-yl)acetate
CID 583011
2-(5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 701825
[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-acetic acid
CID 579001
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1086563
3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid methyl ester
CID 644796
3-[5-(4-Ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester
CID 647427
(2-Oxooxolan-3-yl) 2-(5-phenyltetrazol-2-yl)acetate
CID 2997552
Propan-2-yl 2-(5-phenyltetrazol-2-yl)acetate
CID 2902401
3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid
CID 845287
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
2H-Tetrazole-2-acetic acid, 5-(4-chlorophenyl)-, ethyl ester
CID 863228

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate?
The IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate (CID 139247475) is 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate.
What is the SMILES notation for 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate?
The canonical SMILES for 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate is CC(=O)OC(C)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate?
The InChIKey is HSZWYNAXOKFSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(18-10(2)17)8-16-14-12(13-15-16)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate?
1-(5-phenyltetrazol-2-yl)propan-2-yl acetate has a molecular weight of 246.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyltetrazol-2-yl)propan-2-yl acetate is sourced from PubChem (CID 139247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).