1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride

C8H16Cl2N4 — CID 137248458

IUPAC1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride
SMILESCc1nn(C)c2c1CC(N)CN2.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-5-7-3-6(9)4-10-8(7)12(2)11-5;;/h6,10H,3-4,9H2,1-2H3;2*1H
InChIKeyGTYFZVRASUOEIL-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.87
Rot. Bonds

About 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride

1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride (PubChem CID 137248458) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride
PubChem CID137248458
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride
SMILESCc1nn(C)c2c1CC(N)CN2.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-5-7-3-6(9)4-10-8(7)12(2)11-5;;/h6,10H,3-4,9H2,1-2H3;2*1H
InChIKeyGTYFZVRASUOEIL-UHFFFAOYSA-N
XLogP0.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride?
The IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride (CID 137248458) is 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride is Cc1nn(C)c2c1CC(N)CN2.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride?
The InChIKey is GTYFZVRASUOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-5-7-3-6(9)4-10-8(7)12(2)11-5;;/h6,10H,3-4,9H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride?
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine;dihydrochloride is sourced from PubChem (CID 137248458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).