6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one

C9H14N6O — CID 168917034

IUPAC6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCC(N)c1ncnn1C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H14N6O/c1-6(10)9-11-5-12-15(9)7-3-4-8(16)14(2)13-7/h5-6H,3-4,10H2,1-2H3
InChIKeyNIHGBOODPUDQOR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.29
Rot. Bonds1

About 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one

6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 168917034) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID168917034
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCC(N)c1ncnn1C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H14N6O/c1-6(10)9-11-5-12-15(9)7-3-4-8(16)14(2)13-7/h5-6H,3-4,10H2,1-2H3
InChIKeyNIHGBOODPUDQOR-UHFFFAOYSA-N
XLogP-0.29
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one (CID 168917034) is 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one is CC(N)c1ncnn1C1=NN(C)C(=O)CC1.
What is the InChIKey of 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is NIHGBOODPUDQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-6(10)9-11-5-12-15(9)7-3-4-8(16)14(2)13-7/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 222.25 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 168917034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).