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

C12H18N6O — CID 103219189

IUPAC5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCNc1cnn(Cc2ncnn2C(C)C)c(=O)c1
InChIInChI=1S/C12H18N6O/c1-4-13-10-5-12(19)17(15-6-10)7-11-14-8-16-18(11)9(2)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyNOJCYPBLNPHMPV-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.90
Rot. Bonds5

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

5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103219189) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID103219189
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCNc1cnn(Cc2ncnn2C(C)C)c(=O)c1
InChIInChI=1S/C12H18N6O/c1-4-13-10-5-12(19)17(15-6-10)7-11-14-8-16-18(11)9(2)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyNOJCYPBLNPHMPV-UHFFFAOYSA-N
XLogP0.90
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 103218866
4-[[4-(ethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218894
methyl 5-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate
CID 103105834
2-(1-benzothiophen-3-ylmethyl)-5-(ethylamino)pyridazin-3-one
CID 103218855
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699599
5-iodo-4-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CID 79784921
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 116622801

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 103219189) is 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is CCNc1cnn(Cc2ncnn2C(C)C)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is NOJCYPBLNPHMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-13-10-5-12(19)17(15-6-10)7-11-14-8-16-18(11)9(2)3/h5-6,8-9,13H,4,7H2,1-3H3.
What are the key properties of 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).