N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine

C16H20N4S — CID 62287480

IUPACN-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESc1csc(CN(c2ccc(CNC3CC3)nn2)C2CC2)c1
InChIInChI=1S/C16H20N4S/c1-2-15(21-9-1)11-20(14-6-7-14)16-8-5-13(18-19-16)10-17-12-3-4-12/h1-2,5,8-9,12,14,17H,3-4,6-7,10-11H2
InChIKeyUQCISXWIZRTQKK-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine

N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine (PubChem CID 62287480) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
PubChem CID62287480
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESc1csc(CN(c2ccc(CNC3CC3)nn2)C2CC2)c1
InChIInChI=1S/C16H20N4S/c1-2-15(21-9-1)11-20(14-6-7-14)16-8-5-13(18-19-16)10-17-12-3-4-12/h1-2,5,8-9,12,14,17H,3-4,6-7,10-11H2
InChIKeyUQCISXWIZRTQKK-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66457006
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279754
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine (CID 62287480) is N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine is c1csc(CN(c2ccc(CNC3CC3)nn2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The InChIKey is UQCISXWIZRTQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-15(21-9-1)11-20(14-6-7-14)16-8-5-13(18-19-16)10-17-12-3-4-12/h1-2,5,8-9,12,14,17H,3-4,6-7,10-11H2.
What are the key properties of N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine has a molecular weight of 300.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62287480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).