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

C12H12N6O — CID 106410293

IUPAC3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1nc(Cn2cncc2-c2cccnc2N)no1
InChIInChI=1S/C12H12N6O/c1-8-16-11(17-19-8)6-18-7-14-5-10(18)9-3-2-4-15-12(9)13/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyWREJSJYJPPAEQZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.27
Rot. Bonds3

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

3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 106410293) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID106410293
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1nc(Cn2cncc2-c2cccnc2N)no1
InChIInChI=1S/C12H12N6O/c1-8-16-11(17-19-8)6-18-7-14-5-10(18)9-3-2-4-15-12(9)13/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyWREJSJYJPPAEQZ-UHFFFAOYSA-N
XLogP1.27
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106410397
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile
CID 114719737
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114720343
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine (CID 106410293) is 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine is Cc1nc(Cn2cncc2-c2cccnc2N)no1.
What is the InChIKey of 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is WREJSJYJPPAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-16-11(17-19-8)6-18-7-14-5-10(18)9-3-2-4-15-12(9)13/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 106410293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).