1,7-dihydropyrazolo[4,5-b]pyridin-6-imine

C6H6N4 — CID 136508234

IUPAC1,7-dihydropyrazolo[4,5-b]pyridin-6-imine
SMILES[H]/N=C1\C=Nc2cn[nH]c2C1
InChIInChI=1S/C6H6N4/c7-4-1-5-6(8-2-4)3-9-10-5/h2-3,7H,1H2,(H,9,10)/b7-4-
InChIKeyZLSGTNOWRZSPPW-DAXSKMNVSA-N
MW134.14 g/mol
LogP0.69
Rot. Bonds

About 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine

1,7-dihydropyrazolo[4,5-b]pyridin-6-imine (PubChem CID 136508234) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine.

Molecular Properties

Compound Name1,7-dihydropyrazolo[4,5-b]pyridin-6-imine
PubChem CID136508234
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1,7-dihydropyrazolo[4,5-b]pyridin-6-imine
SMILES[H]/N=C1\C=Nc2cn[nH]c2C1
InChIInChI=1S/C6H6N4/c7-4-1-5-6(8-2-4)3-9-10-5/h2-3,7H,1H2,(H,9,10)/b7-4-
InChIKeyZLSGTNOWRZSPPW-DAXSKMNVSA-N
XLogP0.69
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 201990
5-ethyl-1H-pyrazol-4-amine
CID 23005646
3-cyclopropyl-1H-pyrazol-4-amine
CID 61395211
3-(1H-Pyrazol-3-yl)propan-1-amine
CID 20352856
Pyrazolopiperidine
CID 20784738
Allyl pyrazole
CID 18506322
4,5-Dihydro-1h,1'h-3,3'-bipyrazole
CID 123689515
5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 67322954
5-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 67451195
5-(1-fluoroethyl)-1H-pyrazol-4-amine
CID 164006127
(1E)-1H-pyrazol-3-ylethanal hydrazone
CID 24973125
Dihydropyrazolotriazine
CID 132279262

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine?
The IUPAC name of 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine (CID 136508234) is 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine.
What is the SMILES notation for 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine?
The canonical SMILES for 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine is [H]/N=C1\C=Nc2cn[nH]c2C1.
What is the InChIKey of 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine?
The InChIKey is ZLSGTNOWRZSPPW-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H6N4/c7-4-1-5-6(8-2-4)3-9-10-5/h2-3,7H,1H2,(H,9,10)/b7-4-.
What are the key properties of 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine?
1,7-dihydropyrazolo[4,5-b]pyridin-6-imine has a molecular weight of 134.14 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[4,5-b]pyridin-6-imine is sourced from PubChem (CID 136508234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).