1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine

C17H23N5 — CID 91335373

IUPAC1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine
SMILESCc1c(CN2CCC(N)CC2)nnc(-c2ccncc2)c1C
InChIInChI=1S/C17H23N5/c1-12-13(2)17(14-3-7-19-8-4-14)21-20-16(12)11-22-9-5-15(18)6-10-22/h3-4,7-8,15H,5-6,9-11,18H2,1-2H3
InChIKeyWMNLIFIABWWWHN-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.08
Rot. Bonds3

About 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine

1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine (PubChem CID 91335373) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine
PubChem CID91335373
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine
SMILESCc1c(CN2CCC(N)CC2)nnc(-c2ccncc2)c1C
InChIInChI=1S/C17H23N5/c1-12-13(2)17(14-3-7-19-8-4-14)21-20-16(12)11-22-9-5-15(18)6-10-22/h3-4,7-8,15H,5-6,9-11,18H2,1-2H3
InChIKeyWMNLIFIABWWWHN-UHFFFAOYSA-N
XLogP2.08
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(4-bromo-3-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
CID 94674491
1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
CID 94674503
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(6-methylpyrazin-2-yl)methyl]piperidin-4-amine
CID 82395830
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
1-(pyrazin-2-ylmethyl)piperidin-4-amine
CID 43556640
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
CID 116976141
1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553973
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-[(2-methylcyclohexen-1-yl)methyl]piperidin-4-amine
CID 139271565
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine (CID 91335373) is 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine is Cc1c(CN2CCC(N)CC2)nnc(-c2ccncc2)c1C.
What is the InChIKey of 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine?
The InChIKey is WMNLIFIABWWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-13(2)17(14-3-7-19-8-4-14)21-20-16(12)11-22-9-5-15(18)6-10-22/h3-4,7-8,15H,5-6,9-11,18H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine?
1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-6-pyridin-4-ylpyridazin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 91335373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).