N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine

C10H15N3S — CID 107268844

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
SMILESCSC1(CNc2cccnn2)CCC1
InChIInChI=1S/C10H15N3S/c1-14-10(5-3-6-10)8-11-9-4-2-7-12-13-9/h2,4,7H,3,5-6,8H2,1H3,(H,11,13)
InChIKeyZHPPEKHTJVAGHL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.17
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine

N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine (PubChem CID 107268844) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
PubChem CID107268844
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
SMILESCSC1(CNc2cccnn2)CCC1
InChIInChI=1S/C10H15N3S/c1-14-10(5-3-6-10)8-11-9-4-2-7-12-13-9/h2,4,7H,3,5-6,8H2,1H3,(H,11,13)
InChIKeyZHPPEKHTJVAGHL-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-3-carbothioamide
CID 114116385
3-[(1-methylsulfanylcyclopentyl)methylamino]pyridazine-4-carbothioamide
CID 114116400
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
CID 107268802
N-[(1-methylsulfanylcyclobutyl)methyl]thiadiazol-5-amine
CID 130506255
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541
N-[(1-methylsulfanylcyclobutyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 107268757
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 107268832
3-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-2-carboxylic acid
CID 114117682

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine (CID 107268844) is N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine is CSC1(CNc2cccnn2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine?
The InChIKey is ZHPPEKHTJVAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-10(5-3-6-10)8-11-9-4-2-7-12-13-9/h2,4,7H,3,5-6,8H2,1H3,(H,11,13).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine has a molecular weight of 209.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 107268844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).