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

C8H10N6O — CID 103218195

IUPAC5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ncnc1Cn1ncc(N)cc1=O
InChIInChI=1S/C8H10N6O/c1-13-7(10-5-12-13)4-14-8(15)2-6(9)3-11-14/h2-3,5H,4,9H2,1H3
InChIKeyQBABVIMGOBTRMJ-UHFFFAOYSA-N
MW206.21 g/mol
LogP-1.00
Rot. Bonds2

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

5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103218195) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID103218195
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ncnc1Cn1ncc(N)cc1=O
InChIInChI=1S/C8H10N6O/c1-13-7(10-5-12-13)4-14-8(15)2-6(9)3-11-14/h2-3,5H,4,9H2,1H3
InChIKeyQBABVIMGOBTRMJ-UHFFFAOYSA-N
XLogP-1.00
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-amino-2-[(1-methylindazol-3-yl)methyl]pyridazin-3-one
CID 103218230
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
2-methyl-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171995056
5-[(3,5-dibromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 114692637
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 103218195) is 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is Cn1ncnc1Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is QBABVIMGOBTRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-13-7(10-5-12-13)4-14-8(15)2-6(9)3-11-14/h2-3,5H,4,9H2,1H3.
What are the key properties of 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 206.21 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).