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

C10H12N4O — CID 13290936

IUPAC1-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKeyIXROSBYQUSKQKE-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.72
Rot. Bonds3

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

1-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 13290936) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID13290936
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3
InChIKeyIXROSBYQUSKQKE-UHFFFAOYSA-N
XLogP0.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanoic acid
CID 2892535
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
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
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1086563
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-phenyl-1-propoxy-1H-tetrazole
CID 2219318
2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol
CID 10659394
Propan-2-yl 2-(5-phenyltetrazol-2-yl)acetate
CID 2902401
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butan-1-ol
CID 10732555

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-ol (CID 13290936) is 1-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-phenyltetrazol-2-yl)propan-2-ol is CC(O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is IXROSBYQUSKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-(5-phenyltetrazol-2-yl)propan-2-ol?
1-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 204.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 13290936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).