2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

C16H14N4O — CID 164806541

IUPAC2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(c2nn[nH]n2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H14N4O/c21-16(15-17-19-20-18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,21H,9-10H2,(H,17,18,19,20)
InChIKeyDYFASQVJBFRVRV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.58
Rot. Bonds1

About 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (PubChem CID 164806541) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
PubChem CID164806541
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(c2nn[nH]n2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H14N4O/c21-16(15-17-19-20-18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,21H,9-10H2,(H,17,18,19,20)
InChIKeyDYFASQVJBFRVRV-UHFFFAOYSA-N
XLogP1.58
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The IUPAC name of 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (CID 164806541) is 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The canonical SMILES for 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is OC1(c2nn[nH]n2)c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The InChIKey is DYFASQVJBFRVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(15-17-19-20-18-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,21H,9-10H2,(H,17,18,19,20).
What are the key properties of 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol has a molecular weight of 278.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is sourced from PubChem (CID 164806541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).