3-(5-phenyltetrazol-2-yl)propan-1-ol

C10H12N4O — CID 43392873

IUPAC3-(5-phenyltetrazol-2-yl)propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2
InChIKeyCFQXGCCAFGRFDY-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.72
Rot. Bonds4

About 3-(5-phenyltetrazol-2-yl)propan-1-ol

3-(5-phenyltetrazol-2-yl)propan-1-ol (PubChem CID 43392873) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)propan-1-ol
PubChem CID43392873
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(5-phenyltetrazol-2-yl)propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H12N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2
InChIKeyCFQXGCCAFGRFDY-UHFFFAOYSA-N
XLogP0.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)propan-1-ol (CID 43392873) is 3-(5-phenyltetrazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)propan-1-ol is OCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)propan-1-ol?
The InChIKey is CFQXGCCAFGRFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2.
What are the key properties of 3-(5-phenyltetrazol-2-yl)propan-1-ol?
3-(5-phenyltetrazol-2-yl)propan-1-ol has a molecular weight of 204.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)propan-1-ol is sourced from PubChem (CID 43392873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).