6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide

C12H19N5O — CID 113295252

IUPAC6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
SMILESNCC1(CNc2ccc(C(N)=O)nn2)CCCC1
InChIInChI=1S/C12H19N5O/c13-7-12(5-1-2-6-12)8-15-10-4-3-9(11(14)18)16-17-10/h3-4H,1-2,5-8,13H2,(H2,14,18)(H,15,17)
InChIKeyQERRMPGFTKBJHN-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.51
Rot. Bonds5

About 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide

6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide (PubChem CID 113295252) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
PubChem CID113295252
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
SMILESNCC1(CNc2ccc(C(N)=O)nn2)CCCC1
InChIInChI=1S/C12H19N5O/c13-7-12(5-1-2-6-12)8-15-10-4-3-9(11(14)18)16-17-10/h3-4H,1-2,5-8,13H2,(H2,14,18)(H,15,17)
InChIKeyQERRMPGFTKBJHN-UHFFFAOYSA-N
XLogP0.51
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443595
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
N-ethyl-6-[(1-ethylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 103764956
methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
CID 133491640
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
2-[1-[[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]methyl]cyclobutyl]acetic acid
CID 81163939
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
CID 133357901
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide (CID 113295252) is 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide is NCC1(CNc2ccc(C(N)=O)nn2)CCCC1.
What is the InChIKey of 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide?
The InChIKey is QERRMPGFTKBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-7-12(5-1-2-6-12)8-15-10-4-3-9(11(14)18)16-17-10/h3-4H,1-2,5-8,13H2,(H2,14,18)(H,15,17).
What are the key properties of 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide?
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 113295252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).