1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole

C11H10N4 — CID 175523157

IUPAC1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole
SMILESC1=CCC(c2nnnn2C2=CC=CC2)=C1
InChIInChI=1S/C11H10N4/c1-2-6-9(5-1)11-12-13-14-15(11)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyOVXMTGCOJUPTOV-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.82
Rot. Bonds2

About 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole

1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole (PubChem CID 175523157) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole.

Molecular Properties

Compound Name1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole
PubChem CID175523157
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole
SMILESC1=CCC(c2nnnn2C2=CC=CC2)=C1
InChIInChI=1S/C11H10N4/c1-2-6-9(5-1)11-12-13-14-15(11)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyOVXMTGCOJUPTOV-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole?
The IUPAC name of 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole (CID 175523157) is 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole.
What is the SMILES notation for 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole?
The canonical SMILES for 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole is C1=CCC(c2nnnn2C2=CC=CC2)=C1.
What is the InChIKey of 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole?
The InChIKey is OVXMTGCOJUPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-6-9(5-1)11-12-13-14-15(11)10-7-3-4-8-10/h1-5,7H,6,8H2.
What are the key properties of 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole?
1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole has a molecular weight of 198.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(cyclopenta-1,3-dien-1-yl)tetrazole is sourced from PubChem (CID 175523157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).