6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

C11H14N6O2 — CID 54885292

IUPAC6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-2-5-17-10(18)4-3-8(16-17)11(19)12-6-9-13-7-14-15-9/h3-4,7H,2,5-6H2,1H3,(H,12,19)(H,13,14,15)
InChIKeyKBLGTGXAMNASNB-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.30
Rot. Bonds5

About 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 54885292) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID54885292
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O2/c1-2-5-17-10(18)4-3-8(16-17)11(19)12-6-9-13-7-14-15-9/h3-4,7H,2,5-6H2,1H3,(H,12,19)(H,13,14,15)
InChIKeyKBLGTGXAMNASNB-UHFFFAOYSA-N
XLogP-0.30
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (CID 54885292) is 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is KBLGTGXAMNASNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-5-17-10(18)4-3-8(16-17)11(19)12-6-9-13-7-14-15-9/h3-4,7H,2,5-6H2,1H3,(H,12,19)(H,13,14,15).
What are the key properties of 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54885292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).