5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one

C7H6N4O2 — CID 115015046

IUPAC5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ncccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H6N4O2/c8-5-4(2-1-3-9-5)6-10-11-7(12)13-6/h1-3H,(H2,8,9)(H,11,12)
InChIKeyDIKOIKANTHTESB-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.01
Rot. Bonds1

About 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one

5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 115015046) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID115015046
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
SMILESNc1ncccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C7H6N4O2/c8-5-4(2-1-3-9-5)6-10-11-7(12)13-6/h1-3H,(H2,8,9)(H,11,12)
InChIKeyDIKOIKANTHTESB-UHFFFAOYSA-N
XLogP0.01
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 135624284
2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
CID 117064042
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625393
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
3-[5-(azetidin-1-yl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 10680278
3-(2-amino-3-pyridinyl)cyclopent-2-en-1-one
CID 65174159
5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 107966490
3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058186
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058177
5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 102885450

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one (CID 115015046) is 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one is Nc1ncccc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is DIKOIKANTHTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-4(2-1-3-9-5)6-10-11-7(12)13-6/h1-3H,(H2,8,9)(H,11,12).
What are the key properties of 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 178.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 115015046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).