1-phenyl-5-propan-2-yloxytetrazole

C10H12N4O — CID 1263322

IUPAC1-phenyl-5-propan-2-yloxytetrazole
SMILESCC(C)Oc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O/c1-8(2)15-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCAPXFRIKGZYZKE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.45
Rot. Bonds3

About 1-phenyl-5-propan-2-yloxytetrazole

1-phenyl-5-propan-2-yloxytetrazole (PubChem CID 1263322) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-phenyl-5-propan-2-yloxytetrazole.

Molecular Properties

Compound Name1-phenyl-5-propan-2-yloxytetrazole
PubChem CID1263322
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-phenyl-5-propan-2-yloxytetrazole
SMILESCC(C)Oc1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O/c1-8(2)15-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyCAPXFRIKGZYZKE-UHFFFAOYSA-N
XLogP1.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propan-2-yloxytetrazole?
The IUPAC name of 1-phenyl-5-propan-2-yloxytetrazole (CID 1263322) is 1-phenyl-5-propan-2-yloxytetrazole.
What is the SMILES notation for 1-phenyl-5-propan-2-yloxytetrazole?
The canonical SMILES for 1-phenyl-5-propan-2-yloxytetrazole is CC(C)Oc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propan-2-yloxytetrazole?
The InChIKey is CAPXFRIKGZYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(2)15-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 1-phenyl-5-propan-2-yloxytetrazole?
1-phenyl-5-propan-2-yloxytetrazole has a molecular weight of 204.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propan-2-yloxytetrazole is sourced from PubChem (CID 1263322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).