4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide

C13H20N8O2 — CID 118347370

IUPAC4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCNc1c(C(=O)Nc2nnnn2C)nn(C)c(=O)c1C
InChIInChI=1S/C13H20N8O2/c1-5-6-7-14-9-8(2)12(23)20(3)17-10(9)11(22)15-13-16-18-19-21(13)4/h14H,5-7H2,1-4H3,(H,15,16,19,22)
InChIKeyIMQMRSWAKJWRHA-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.08
Rot. Bonds6

About 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide

4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 118347370) has the molecular formula C13H20N8O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID118347370
Molecular FormulaC13H20N8O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCNc1c(C(=O)Nc2nnnn2C)nn(C)c(=O)c1C
InChIInChI=1S/C13H20N8O2/c1-5-6-7-14-9-8(2)12(23)20(3)17-10(9)11(22)15-13-16-18-19-21(13)4/h14H,5-7H2,1-4H3,(H,15,16,19,22)
InChIKeyIMQMRSWAKJWRHA-UHFFFAOYSA-N
XLogP0.08
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 118347370) is 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is CCCCNc1c(C(=O)Nc2nnnn2C)nn(C)c(=O)c1C.
What is the InChIKey of 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IMQMRSWAKJWRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8O2/c1-5-6-7-14-9-8(2)12(23)20(3)17-10(9)11(22)15-13-16-18-19-21(13)4/h14H,5-7H2,1-4H3,(H,15,16,19,22).
What are the key properties of 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 118347370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).