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

C10H15N7O — CID 107067014

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2nnn(C)n2)c(=O)c1
InChIInChI=1S/C10H15N7O/c1-3-4-11-8-5-10(18)17(12-6-8)7-9-13-15-16(2)14-9/h5-6,11H,3-4,7H2,1-2H3
InChIKeyYOUBETOVLBSXGP-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.36
Rot. Bonds5

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

2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 107067014) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID107067014
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2nnn(C)n2)c(=O)c1
InChIInChI=1S/C10H15N7O/c1-3-4-11-8-5-10(18)17(12-6-8)7-9-13-15-16(2)14-9/h5-6,11H,3-4,7H2,1-2H3
InChIKeyYOUBETOVLBSXGP-UHFFFAOYSA-N
XLogP-0.36
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one (CID 107067014) is 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2nnn(C)n2)c(=O)c1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is YOUBETOVLBSXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-4-11-8-5-10(18)17(12-6-8)7-9-13-15-16(2)14-9/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 249.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 107067014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).