3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine

C12H12N6O — CID 106410397

IUPAC3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cncn1CCc1ncno1
InChIInChI=1S/C12H12N6O/c13-12-9(2-1-4-15-12)10-6-14-8-18(10)5-3-11-16-7-17-19-11/h1-2,4,6-8H,3,5H2,(H2,13,15)
InChIKeyMDNIPLPMGNKWLP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds4

About 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine

3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 106410397) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID106410397
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cncn1CCc1ncno1
InChIInChI=1S/C12H12N6O/c13-12-9(2-1-4-15-12)10-6-14-8-18(10)5-3-11-16-7-17-19-11/h1-2,4,6-8H,3,5H2,(H2,13,15)
InChIKeyMDNIPLPMGNKWLP-UHFFFAOYSA-N
XLogP1.15
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106410293
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine (CID 106410397) is 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine is Nc1ncccc1-c1cncn1CCc1ncno1.
What is the InChIKey of 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is MDNIPLPMGNKWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-12-9(2-1-4-15-12)10-6-14-8-18(10)5-3-11-16-7-17-19-11/h1-2,4,6-8H,3,5H2,(H2,13,15).
What are the key properties of 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 106410397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).