5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

C12H18N6O — CID 72842844

IUPAC5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCC(C)n1cnnc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H18N6O/c1-9(2)17-8-13-15-11(17)7-18-12(19)5-10(6-14-18)16(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyREUGKBVUTYTUEA-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.53
Rot. Bonds4

About 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 72842844) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID72842844
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCC(C)n1cnnc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H18N6O/c1-9(2)17-8-13-15-11(17)7-18-12(19)5-10(6-14-18)16(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyREUGKBVUTYTUEA-UHFFFAOYSA-N
XLogP0.53
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylamino)-2-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]pyridazin-3(2H)-one
CID 72924900
5,6-Dimethyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 132385800
2-(2,2-difluoroethyl)-5-{4-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 172881032
2-Methyl-5-[4-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-1-yl]pyridazin-3-one
CID 45238036
4-(3-Ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one
CID 170173628
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]acetamide
CID 28310881
5-(4-methyl-1,4-diazepan-1-yl)-2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-3(2H)-pyridazinone
CID 28734583
N-methyl-2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 28737837
N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 30936360
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 45215701
1-[(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 45803470
1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 47018060

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 72842844) is 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is CC(C)n1cnnc1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is REUGKBVUTYTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(2)17-8-13-15-11(17)7-18-12(19)5-10(6-14-18)16(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 72842844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).