5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one

C10H16N8O — CID 107067032

IUPAC5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2nnn(C)n2)c(=O)c1
InChIInChI=1S/C10H16N8O/c1-11-3-4-12-8-5-10(19)18(13-6-8)7-9-14-16-17(2)15-9/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyIPJFYZYDNVPMSF-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.55
Rot. Bonds6

About 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one

5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one (PubChem CID 107067032) has the molecular formula C10H16N8O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
PubChem CID107067032
Molecular FormulaC10H16N8O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
SMILESCNCCNc1cnn(Cc2nnn(C)n2)c(=O)c1
InChIInChI=1S/C10H16N8O/c1-11-3-4-12-8-5-10(19)18(13-6-8)7-9-14-16-17(2)15-9/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyIPJFYZYDNVPMSF-UHFFFAOYSA-N
XLogP-1.55
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
5-[2-(methylamino)ethylamino]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103223693
2-[(3-chloro-4-pyridinyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223550
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
2-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223623
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103223605
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one (CID 107067032) is 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one is CNCCNc1cnn(Cc2nnn(C)n2)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one?
The InChIKey is IPJFYZYDNVPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O/c1-11-3-4-12-8-5-10(19)18(13-6-8)7-9-14-16-17(2)15-9/h5-6,11-12H,3-4,7H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 264.29 g/mol, XLogP of -1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 107067032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).