3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile

C12H16N4O — CID 102862313

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(CCCO)C1CCC1
InChIInChI=1S/C12H16N4O/c13-9-10-5-6-14-15-12(10)16(7-2-8-17)11-3-1-4-11/h5-6,11,17H,1-4,7-8H2
InChIKeyKBGASXNQTLPQQP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.09
Rot. Bonds5

About 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile

3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile (PubChem CID 102862313) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
PubChem CID102862313
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(CCCO)C1CCC1
InChIInChI=1S/C12H16N4O/c13-9-10-5-6-14-15-12(10)16(7-2-8-17)11-3-1-4-11/h5-6,11,17H,1-4,7-8H2
InChIKeyKBGASXNQTLPQQP-UHFFFAOYSA-N
XLogP1.09
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
CID 80510085
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
CID 80516550
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
CID 102862392
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
2-bromo-4-[cyclobutyl(3-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 107534119
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile (CID 102862313) is 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile is N#Cc1ccnnc1N(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is KBGASXNQTLPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-10-5-6-14-15-12(10)16(7-2-8-17)11-3-1-4-11/h5-6,11,17H,1-4,7-8H2.
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile?
3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 102862313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).