4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

C12H14N6O — CID 69158193

IUPAC4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)n1c(-c2nonc2N)nc2cnccc21
InChIInChI=1S/C12H14N6O/c1-3-7(2)18-9-4-5-14-6-8(9)15-12(18)10-11(13)17-19-16-10/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyJBDUILLIFGAPAK-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.03
Rot. Bonds3

About 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 69158193) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID69158193
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)n1c(-c2nonc2N)nc2cnccc21
InChIInChI=1S/C12H14N6O/c1-3-7(2)18-9-4-5-14-6-8(9)15-12(18)10-11(13)17-19-16-10/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyJBDUILLIFGAPAK-UHFFFAOYSA-N
XLogP2.03
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[4-(3-methylbutoxy)phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 59681820
(NE)-N-[1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]ethylidene]hydroxylamine
CID 87717556
3-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenyl]propanamide
CID 142809032
2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]-N,N-dimethylacetamide
CID 69158799
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
1-hexan-3-ylimidazo[4,5-c]pyridin-2-amine
CID 79295628
4-[1-[4-[2-(methylsulfonylmethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258931
2-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazo[4,5-c]pyridin-1-yl]phenoxy]ethyl-methylamino]acetic acid
CID 11350364
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
CID 142808974
1-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295975

Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine (CID 69158193) is 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is CCC(C)n1c(-c2nonc2N)nc2cnccc21.
What is the InChIKey of 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is JBDUILLIFGAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-3-7(2)18-9-4-5-14-6-8(9)15-12(18)10-11(13)17-19-16-10/h4-7H,3H2,1-2H3,(H2,13,17).
What are the key properties of 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 69158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).