N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine

C10H14N4 — CID 146426856

IUPACN-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)(C)Nc1cnc2[nH]ncc2c1
InChIInChI=1S/C10H14N4/c1-10(2,3)13-8-4-7-5-12-14-9(7)11-6-8/h4-6,13H,1-3H3,(H,11,12,14)
InChIKeyPGIAOSKZBVNVPT-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.17
Rot. Bonds1

About N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine

N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 146426856) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID146426856
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)(C)Nc1cnc2[nH]ncc2c1
InChIInChI=1S/C10H14N4/c1-10(2,3)13-8-4-7-5-12-14-9(7)11-6-8/h4-6,13H,1-3H3,(H,11,12,14)
InChIKeyPGIAOSKZBVNVPT-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine (CID 146426856) is N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine is CC(C)(C)Nc1cnc2[nH]ncc2c1.
What is the InChIKey of N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is PGIAOSKZBVNVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-10(2,3)13-8-4-7-5-12-14-9(7)11-6-8/h4-6,13H,1-3H3,(H,11,12,14).
What are the key properties of N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine?
N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 190.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 146426856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).