2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one

C17H22N4O — CID 126934421

IUPAC2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
SMILESCC(NC1CCC(n2ncccc2=O)CC1)c1cccnc1
InChIInChI=1S/C17H22N4O/c1-13(14-4-2-10-18-12-14)20-15-6-8-16(9-7-15)21-17(22)5-3-11-19-21/h2-5,10-13,15-16,20H,6-9H2,1H3
InChIKeyHKOHXOHNJNTFCG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one

2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934421) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934421
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
SMILESCC(NC1CCC(n2ncccc2=O)CC1)c1cccnc1
InChIInChI=1S/C17H22N4O/c1-13(14-4-2-10-18-12-14)20-15-6-8-16(9-7-15)21-17(22)5-3-11-19-21/h2-5,10-13,15-16,20H,6-9H2,1H3
InChIKeyHKOHXOHNJNTFCG-UHFFFAOYSA-N
XLogP2.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one (CID 126934421) is 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one is CC(NC1CCC(n2ncccc2=O)CC1)c1cccnc1.
What is the InChIKey of 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is HKOHXOHNJNTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(14-4-2-10-18-12-14)20-15-6-8-16(9-7-15)21-17(22)5-3-11-19-21/h2-5,10-13,15-16,20H,6-9H2,1H3.
What are the key properties of 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one?
2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).