3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine

C8H12N4 — CID 122696533

IUPAC3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine
SMILESCC(C)c1[nH]nc2c1C=CNN2
InChIInChI=1S/C8H12N4/c1-5(2)7-6-3-4-9-11-8(6)12-10-7/h3-5,9H,1-2H3,(H2,10,11,12)
InChIKeyLBAIPOXPEINKTL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.43
Rot. Bonds1

About 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine

3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 122696533) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine
PubChem CID122696533
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine
SMILESCC(C)c1[nH]nc2c1C=CNN2
InChIInChI=1S/C8H12N4/c1-5(2)7-6-3-4-9-11-8(6)12-10-7/h3-5,9H,1-2H3,(H2,10,11,12)
InChIKeyLBAIPOXPEINKTL-UHFFFAOYSA-N
XLogP1.43
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89044522
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
CID 118614865
5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
CID 123495409
4-buta-1,3-dien-2-yl-5-(2-methylpropyl)-1H-pyrazol-3-amine
CID 123684139
5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine
CID 123932139
N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine
CID 130336785
6,7-dihydro-1H-indazol-3-amine
CID 132168454
6,7-dihydro-1H-indazol-3-amine;hydrochloride
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N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
CID 134286529
4-methanimidoyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 136478395
ethane;5-ethyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
CID 143701310

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine (CID 122696533) is 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine is CC(C)c1[nH]nc2c1C=CNN2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is LBAIPOXPEINKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5(2)7-6-3-4-9-11-8(6)12-10-7/h3-5,9H,1-2H3,(H2,10,11,12).
What are the key properties of 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine?
3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 164.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 122696533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).