2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one

C18H27N7O2 — CID 128524139

IUPAC2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
SMILESCCn1nncc1C(=O)N1CCCC(n2ncc(N(C)C(C)C)cc2=O)C1
InChIInChI=1S/C18H27N7O2/c1-5-24-16(11-19-21-24)18(27)23-8-6-7-14(12-23)25-17(26)9-15(10-20-25)22(4)13(2)3/h9-11,13-14H,5-8,12H2,1-4H3
InChIKeyRWMMJPAMJOHALC-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.18
Rot. Bonds5

About 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one

2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one (PubChem CID 128524139) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
PubChem CID128524139
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
SMILESCCn1nncc1C(=O)N1CCCC(n2ncc(N(C)C(C)C)cc2=O)C1
InChIInChI=1S/C18H27N7O2/c1-5-24-16(11-19-21-24)18(27)23-8-6-7-14(12-23)25-17(26)9-15(10-20-25)22(4)13(2)3/h9-11,13-14H,5-8,12H2,1-4H3
InChIKeyRWMMJPAMJOHALC-UHFFFAOYSA-N
XLogP1.18
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325553
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323555
6-[[2-[(3R)-3-[4-[methyl(propan-2-yl)amino]-6-oxopyridazin-1-yl]piperidin-1-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 129324157
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129324133
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
CID 120857935
2-[(3R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 129324233
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881432
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881433
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
2-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128987682
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118762351

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The IUPAC name of 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one (CID 128524139) is 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The canonical SMILES for 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one is CCn1nncc1C(=O)N1CCCC(n2ncc(N(C)C(C)C)cc2=O)C1.
What is the InChIKey of 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The InChIKey is RWMMJPAMJOHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-5-24-16(11-19-21-24)18(27)23-8-6-7-14(12-23)25-17(26)9-15(10-20-25)22(4)13(2)3/h9-11,13-14H,5-8,12H2,1-4H3.
What are the key properties of 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one has a molecular weight of 373.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one is sourced from PubChem (CID 128524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).