(6-propan-2-yloxypyridazin-3-yl)methanol

C8H12N2O2 — CID 61256127

IUPAC(6-propan-2-yloxypyridazin-3-yl)methanol
SMILESCC(C)Oc1ccc(CO)nn1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8-4-3-7(5-11)9-10-8/h3-4,6,11H,5H2,1-2H3
InChIKeyYADCRSYJNFOYON-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.76
Rot. Bonds3

About (6-propan-2-yloxypyridazin-3-yl)methanol

(6-propan-2-yloxypyridazin-3-yl)methanol (PubChem CID 61256127) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (6-propan-2-yloxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name(6-propan-2-yloxypyridazin-3-yl)methanol
PubChem CID61256127
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(6-propan-2-yloxypyridazin-3-yl)methanol
SMILESCC(C)Oc1ccc(CO)nn1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8-4-3-7(5-11)9-10-8/h3-4,6,11H,5H2,1-2H3
InChIKeyYADCRSYJNFOYON-UHFFFAOYSA-N
XLogP0.76
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxypyridazin-3-yl)methanol?
The IUPAC name of (6-propan-2-yloxypyridazin-3-yl)methanol (CID 61256127) is (6-propan-2-yloxypyridazin-3-yl)methanol.
What is the SMILES notation for (6-propan-2-yloxypyridazin-3-yl)methanol?
The canonical SMILES for (6-propan-2-yloxypyridazin-3-yl)methanol is CC(C)Oc1ccc(CO)nn1.
What is the InChIKey of (6-propan-2-yloxypyridazin-3-yl)methanol?
The InChIKey is YADCRSYJNFOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)12-8-4-3-7(5-11)9-10-8/h3-4,6,11H,5H2,1-2H3.
What are the key properties of (6-propan-2-yloxypyridazin-3-yl)methanol?
(6-propan-2-yloxypyridazin-3-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxypyridazin-3-yl)methanol is sourced from PubChem (CID 61256127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).