3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol

C9H16N4O — CID 106550190

IUPAC3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
SMILESCc1cnnc(NCC(N)C(C)O)c1
InChIInChI=1S/C9H16N4O/c1-6-3-9(13-12-4-6)11-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,13)
InChIKeyDMFZLCNHFBLFHB-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.09
Rot. Bonds4

About 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol

3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol (PubChem CID 106550190) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
PubChem CID106550190
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
SMILESCc1cnnc(NCC(N)C(C)O)c1
InChIInChI=1S/C9H16N4O/c1-6-3-9(13-12-4-6)11-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,13)
InChIKeyDMFZLCNHFBLFHB-UHFFFAOYSA-N
XLogP-0.09
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
3-amino-4-[(5-methylpyrimidin-2-yl)amino]butan-2-ol
CID 64540641
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol (CID 106550190) is 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol is Cc1cnnc(NCC(N)C(C)O)c1.
What is the InChIKey of 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol?
The InChIKey is DMFZLCNHFBLFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-3-9(13-12-4-6)11-5-8(10)7(2)14/h3-4,7-8,14H,5,10H2,1-2H3,(H,11,13).
What are the key properties of 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol?
3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol has a molecular weight of 196.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol is sourced from PubChem (CID 106550190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).