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

C12H16N6O2 — CID 60982538

IUPAC1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C12H16N6O2/c1-2-3-6-18-11(19)5-4-9(17-18)12(20)13-7-10-14-8-15-16-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,20)(H,14,15,16)
InChIKeyNJFNFJIQNZBERP-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.09
Rot. Bonds6

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

1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 60982538) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID60982538
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C12H16N6O2/c1-2-3-6-18-11(19)5-4-9(17-18)12(20)13-7-10-14-8-15-16-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,20)(H,14,15,16)
InChIKeyNJFNFJIQNZBERP-UHFFFAOYSA-N
XLogP0.09
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (CID 60982538) is 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NJFNFJIQNZBERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-2-3-6-18-11(19)5-4-9(17-18)12(20)13-7-10-14-8-15-16-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,20)(H,14,15,16).
What are the key properties of 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 60982538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).