1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea

C9H15N5S — CID 20557856

IUPAC1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
SMILESCNC(=S)NCCNCc1cccnn1
InChIInChI=1S/C9H15N5S/c1-10-9(15)12-6-5-11-7-8-3-2-4-13-14-8/h2-4,11H,5-7H2,1H3,(H2,10,12,15)
InChIKeyOONSBXATHMSZGE-UHFFFAOYSA-N
MW225.32 g/mol
LogP-0.34
Rot. Bonds5

About 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea

1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea (PubChem CID 20557856) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
PubChem CID20557856
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
SMILESCNC(=S)NCCNCc1cccnn1
InChIInChI=1S/C9H15N5S/c1-10-9(15)12-6-5-11-7-8-3-2-4-13-14-8/h2-4,11H,5-7H2,1H3,(H2,10,12,15)
InChIKeyOONSBXATHMSZGE-UHFFFAOYSA-N
XLogP-0.34
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
CID 106831708
1-methyl-3-[2-(pyridin-4-ylmethylamino)ethyl]thiourea
CID 21441086
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
CID 112742140
[4-[(pyridazin-3-ylmethylamino)methyl]phenyl]methanol
CID 106895571
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea (CID 20557856) is 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea is CNC(=S)NCCNCc1cccnn1.
What is the InChIKey of 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea?
The InChIKey is OONSBXATHMSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-10-9(15)12-6-5-11-7-8-3-2-4-13-14-8/h2-4,11H,5-7H2,1H3,(H2,10,12,15).
What are the key properties of 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea?
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea has a molecular weight of 225.32 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea is sourced from PubChem (CID 20557856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).