[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol

C14H19N3O2 — CID 155700086

IUPAC[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol
SMILESCOC1(C)C=CC(CNc2ccc(CO)nn2)=CC1
InChIInChI=1S/C14H19N3O2/c1-14(19-2)7-5-11(6-8-14)9-15-13-4-3-12(10-18)16-17-13/h3-7,18H,8-10H2,1-2H3,(H,15,17)
InChIKeyUTNRQNFHXWGXBY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.67
Rot. Bonds5

About [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol

[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol (PubChem CID 155700086) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol
PubChem CID155700086
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol
SMILESCOC1(C)C=CC(CNc2ccc(CO)nn2)=CC1
InChIInChI=1S/C14H19N3O2/c1-14(19-2)7-5-11(6-8-14)9-15-13-4-3-12(10-18)16-17-13/h3-7,18H,8-10H2,1-2H3,(H,15,17)
InChIKeyUTNRQNFHXWGXBY-UHFFFAOYSA-N
XLogP1.67
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol with MolForge

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Related Compounds

2-{4-[6-(Hydroxymethyl)pyridazin-3-yl]piperazin-1-yl}ethan-1-ol
CID 61252981
[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
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[6-(Ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol
CID 170598460
[6-[Propyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009279
[6-[Methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 61254994
[6-[Ethyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 61607883
[6-[Methyl(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]methanol
CID 65538501
[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol
CID 114490524
[6-[2,2-Difluoroethyl(methyl)amino]pyridazin-3-yl]methanol
CID 116316663
(6-Morpholin-4-ylpyridazin-3-yl)methanol
CID 39203368
[6-[Ethyl(2-methoxyethyl)amino]pyridazin-3-yl]methanol
CID 61446649
[6-(Propan-2-ylamino)pyridazin-3-yl]methanol
CID 104120535

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol (CID 155700086) is [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol is COC1(C)C=CC(CNc2ccc(CO)nn2)=CC1.
What is the InChIKey of [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol?
The InChIKey is UTNRQNFHXWGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(19-2)7-5-11(6-8-14)9-15-13-4-3-12(10-18)16-17-13/h3-7,18H,8-10H2,1-2H3,(H,15,17).
What are the key properties of [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol?
[6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methylamino]pyridazin-3-yl]methanol is sourced from PubChem (CID 155700086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).