N-(pyridazin-4-ylmethyl)butan-2-amine

C9H15N3 — CID 104670133

IUPACN-(pyridazin-4-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccnnc1
InChIInChI=1S/C9H15N3/c1-3-8(2)10-6-9-4-5-11-12-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyXCNORLWFSODIOP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.36
Rot. Bonds4

About N-(pyridazin-4-ylmethyl)butan-2-amine

N-(pyridazin-4-ylmethyl)butan-2-amine (PubChem CID 104670133) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(pyridazin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(pyridazin-4-ylmethyl)butan-2-amine
PubChem CID104670133
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(pyridazin-4-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccnnc1
InChIInChI=1S/C9H15N3/c1-3-8(2)10-6-9-4-5-11-12-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyXCNORLWFSODIOP-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104867606
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
4-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridazine
CID 166142491
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-4-ylmethyl)butan-2-amine?
The IUPAC name of N-(pyridazin-4-ylmethyl)butan-2-amine (CID 104670133) is N-(pyridazin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(pyridazin-4-ylmethyl)butan-2-amine?
The canonical SMILES for N-(pyridazin-4-ylmethyl)butan-2-amine is CCC(C)NCc1ccnnc1.
What is the InChIKey of N-(pyridazin-4-ylmethyl)butan-2-amine?
The InChIKey is XCNORLWFSODIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-8(2)10-6-9-4-5-11-12-7-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of N-(pyridazin-4-ylmethyl)butan-2-amine?
N-(pyridazin-4-ylmethyl)butan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 104670133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).