5-phenyl-1-propoxytetrazole

C10H12N4O — CID 2219318

IUPAC5-phenyl-1-propoxytetrazole
SMILESCCCOn1nnnc1-c1ccccc1
InChIInChI=1S/C10H12N4O/c1-2-8-15-14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyKZCTVABFKIRYKS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.18
Rot. Bonds4

About 5-phenyl-1-propoxytetrazole

5-phenyl-1-propoxytetrazole (PubChem CID 2219318) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-phenyl-1-propoxytetrazole.

Molecular Properties

Compound Name5-phenyl-1-propoxytetrazole
PubChem CID2219318
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-phenyl-1-propoxytetrazole
SMILESCCCOn1nnnc1-c1ccccc1
InChIInChI=1S/C10H12N4O/c1-2-8-15-14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyKZCTVABFKIRYKS-UHFFFAOYSA-N
XLogP1.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-1H-tetrazole
CID 87425
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5-(m-Tolyl)-1H-tetrazole
CID 583308
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
5-Phenyltetrazol-1-amine
CID 323204
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
5-Phenyl-1H-tetrazol-1-ol
CID 13000786
5-Phenyl-2H-tetrazol-2-amine
CID 323203
2-(Propen-3-yl)-5-phenyltetrazole
CID 329757

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-propoxytetrazole?
The IUPAC name of 5-phenyl-1-propoxytetrazole (CID 2219318) is 5-phenyl-1-propoxytetrazole.
What is the SMILES notation for 5-phenyl-1-propoxytetrazole?
The canonical SMILES for 5-phenyl-1-propoxytetrazole is CCCOn1nnnc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1-propoxytetrazole?
The InChIKey is KZCTVABFKIRYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-8-15-14-10(11-12-13-14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 5-phenyl-1-propoxytetrazole?
5-phenyl-1-propoxytetrazole has a molecular weight of 204.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-propoxytetrazole is sourced from PubChem (CID 2219318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).