(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine

C10H13N5 — CID 106898402

IUPAC(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1Cc1cccnn1
InChIInChI=1S/C10H13N5/c1-8(11)10-5-12-7-15(10)6-9-3-2-4-13-14-9/h2-5,7-8H,6,11H2,1H3/t8-/m0/s1
InChIKeySVHMPHHZNGUNJY-QMMMGPOBSA-N
MW203.25 g/mol
LogP0.74
Rot. Bonds3

About (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 106898402) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID106898402
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1Cc1cccnn1
InChIInChI=1S/C10H13N5/c1-8(11)10-5-12-7-15(10)6-9-3-2-4-13-14-9/h2-5,7-8H,6,11H2,1H3/t8-/m0/s1
InChIKeySVHMPHHZNGUNJY-QMMMGPOBSA-N
XLogP0.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
CID 106898071
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine (CID 106898402) is (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1Cc1cccnn1.
What is the InChIKey of (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is SVHMPHHZNGUNJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N5/c1-8(11)10-5-12-7-15(10)6-9-3-2-4-13-14-9/h2-5,7-8H,6,11H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 106898402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).