4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol

C8H12N4O — CID 130250972

IUPAC4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol
SMILESCC(C)c1nncc2c1NC(O)N2
InChIInChI=1S/C8H12N4O/c1-4(2)6-7-5(3-9-12-6)10-8(13)11-7/h3-4,8,10-11,13H,1-2H3
InChIKeyJVTFVLBZJLBUHY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol

4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol (PubChem CID 130250972) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol
PubChem CID130250972
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol
SMILESCC(C)c1nncc2c1NC(O)N2
InChIInChI=1S/C8H12N4O/c1-4(2)6-7-5(3-9-12-6)10-8(13)11-7/h3-4,8,10-11,13H,1-2H3
InChIKeyJVTFVLBZJLBUHY-UHFFFAOYSA-N
XLogP0.71
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 153298582
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CID 122696717
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
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2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
CID 59224821
5-methyl-6-propan-2-yl-1,2,4-triazine
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2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
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CID 116822816
7-propan-2-yl-1H-pyrazolo[4,5-c]pyridazine
CID 171591295
4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
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CID 165044366

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol?
The IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol (CID 130250972) is 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol?
The canonical SMILES for 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol is CC(C)c1nncc2c1NC(O)N2.
What is the InChIKey of 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol?
The InChIKey is JVTFVLBZJLBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4(2)6-7-5(3-9-12-6)10-8(13)11-7/h3-4,8,10-11,13H,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol?
4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol has a molecular weight of 180.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydro-1H-imidazo[4,5-d]pyridazin-2-ol is sourced from PubChem (CID 130250972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).