[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride

C11H13ClN6O2 — CID 142808974

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(CO)c21.Cl
InChIInChI=1S/C11H12N6O2.ClH/c1-2-17-9-6(5-18)3-13-4-7(9)14-11(17)8-10(12)16-19-15-8;/h3-4,18H,2,5H2,1H3,(H2,12,16);1H
InChIKeyIYYAUYSMGSHFBN-UHFFFAOYSA-N
MW296.72 g/mol
LogP1.00
Rot. Bonds3

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride (PubChem CID 142808974) has the molecular formula C11H13ClN6O2 and a molecular weight of 296.72 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
PubChem CID142808974
Molecular FormulaC11H13ClN6O2
Molecular Weight296.72 g/mol
Exact Mass296.08
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(CO)c21.Cl
InChIInChI=1S/C11H12N6O2.ClH/c1-2-17-9-6(5-18)3-13-4-7(9)14-11(17)8-10(12)16-19-15-8;/h3-4,18H,2,5H2,1H3,(H2,12,16);1H
InChIKeyIYYAUYSMGSHFBN-UHFFFAOYSA-N
XLogP1.00
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride
CID 69159412
1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
CID 173211841
4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 57399141
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
(2S)-2-amino-1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 69158273
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69199358
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-piperidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 69158423
[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride
CID 131726812
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(oxan-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 11428274
4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258275

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride (CID 142808974) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride is CCn1c(-c2nonc2N)nc2cncc(CO)c21.Cl.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride?
The InChIKey is IYYAUYSMGSHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2.ClH/c1-2-17-9-6(5-18)3-13-4-7(9)14-11(17)8-10(12)16-19-15-8;/h3-4,18H,2,5H2,1H3,(H2,12,16);1H.
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride is sourced from PubChem (CID 142808974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).