1-(pyridazin-3-ylamino)pentan-3-ol

C9H15N3O — CID 115702161

IUPAC1-(pyridazin-3-ylamino)pentan-3-ol
SMILESCCC(O)CCNc1cccnn1
InChIInChI=1S/C9H15N3O/c1-2-8(13)5-7-10-9-4-3-6-11-12-9/h3-4,6,8,13H,2,5,7H2,1H3,(H,10,12)
InChIKeyZRGAJOGXIDGGGB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.05
Rot. Bonds5

About 1-(pyridazin-3-ylamino)pentan-3-ol

1-(pyridazin-3-ylamino)pentan-3-ol (PubChem CID 115702161) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(pyridazin-3-ylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(pyridazin-3-ylamino)pentan-3-ol
PubChem CID115702161
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(pyridazin-3-ylamino)pentan-3-ol
SMILESCCC(O)CCNc1cccnn1
InChIInChI=1S/C9H15N3O/c1-2-8(13)5-7-10-9-4-3-6-11-12-9/h3-4,6,8,13H,2,5,7H2,1H3,(H,10,12)
InChIKeyZRGAJOGXIDGGGB-UHFFFAOYSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
N-pentan-3-ylpyridazin-3-amine
CID 62482228
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
CID 176652809
N-(2,2-dimethylbutyl)pyridazin-3-amine
CID 103462378
2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 79034324
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazin-3-ylamino)pentan-3-ol?
The IUPAC name of 1-(pyridazin-3-ylamino)pentan-3-ol (CID 115702161) is 1-(pyridazin-3-ylamino)pentan-3-ol.
What is the SMILES notation for 1-(pyridazin-3-ylamino)pentan-3-ol?
The canonical SMILES for 1-(pyridazin-3-ylamino)pentan-3-ol is CCC(O)CCNc1cccnn1.
What is the InChIKey of 1-(pyridazin-3-ylamino)pentan-3-ol?
The InChIKey is ZRGAJOGXIDGGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8(13)5-7-10-9-4-3-6-11-12-9/h3-4,6,8,13H,2,5,7H2,1H3,(H,10,12).
What are the key properties of 1-(pyridazin-3-ylamino)pentan-3-ol?
1-(pyridazin-3-ylamino)pentan-3-ol has a molecular weight of 181.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridazin-3-ylamino)pentan-3-ol is sourced from PubChem (CID 115702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).