2-pyridin-3-yl-1H-tetrazol-5-one

C6H5N5O — CID 67513211

IUPAC2-pyridin-3-yl-1H-tetrazol-5-one
SMILESO=c1nnn(-c2cccnc2)[nH]1
InChIInChI=1S/C6H5N5O/c12-6-8-10-11(9-6)5-2-1-3-7-4-5/h1-4H,(H,9,12)
InChIKeyKYTLOPMPDJUZFM-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.65
Rot. Bonds1

About 2-pyridin-3-yl-1H-tetrazol-5-one

2-pyridin-3-yl-1H-tetrazol-5-one (PubChem CID 67513211) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-pyridin-3-yl-1H-tetrazol-5-one.

Molecular Properties

Compound Name2-pyridin-3-yl-1H-tetrazol-5-one
PubChem CID67513211
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name2-pyridin-3-yl-1H-tetrazol-5-one
SMILESO=c1nnn(-c2cccnc2)[nH]1
InChIInChI=1S/C6H5N5O/c12-6-8-10-11(9-6)5-2-1-3-7-4-5/h1-4H,(H,9,12)
InChIKeyKYTLOPMPDJUZFM-UHFFFAOYSA-N
XLogP-0.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1H-tetrazol-5-one?
The IUPAC name of 2-pyridin-3-yl-1H-tetrazol-5-one (CID 67513211) is 2-pyridin-3-yl-1H-tetrazol-5-one.
What is the SMILES notation for 2-pyridin-3-yl-1H-tetrazol-5-one?
The canonical SMILES for 2-pyridin-3-yl-1H-tetrazol-5-one is O=c1nnn(-c2cccnc2)[nH]1.
What is the InChIKey of 2-pyridin-3-yl-1H-tetrazol-5-one?
The InChIKey is KYTLOPMPDJUZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c12-6-8-10-11(9-6)5-2-1-3-7-4-5/h1-4H,(H,9,12).
What are the key properties of 2-pyridin-3-yl-1H-tetrazol-5-one?
2-pyridin-3-yl-1H-tetrazol-5-one has a molecular weight of 163.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1H-tetrazol-5-one is sourced from PubChem (CID 67513211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).