N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine

C9H8N6O — CID 138692739

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESc1cc(NCc2ncon2)c2[nH]ncc2n1
InChIInChI=1S/C9H8N6O/c1-2-10-7-3-13-14-9(7)6(1)11-4-8-12-5-16-15-8/h1-3,5H,4H2,(H,10,11)(H,13,14)
InChIKeyTXGIPWOCWTUDRH-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.95
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 138692739) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
PubChem CID138692739
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESc1cc(NCc2ncon2)c2[nH]ncc2n1
InChIInChI=1S/C9H8N6O/c1-2-10-7-3-13-14-9(7)6(1)11-4-8-12-5-16-15-8/h1-3,5H,4H2,(H,10,11)(H,13,14)
InChIKeyTXGIPWOCWTUDRH-UHFFFAOYSA-N
XLogP0.95
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
N-(pyrazin-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692755
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692707
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
N-[(2S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)propyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 138687784
4-(1H-pyrazolo[4,3-b]pyridin-7-ylamino)phenol
CID 135999292
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine (CID 138692739) is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine is c1cc(NCc2ncon2)c2[nH]ncc2n1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is TXGIPWOCWTUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-2-10-7-3-13-14-9(7)6(1)11-4-8-12-5-16-15-8/h1-3,5H,4H2,(H,10,11)(H,13,14).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 216.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 138692739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).