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

C8H8N6O2 — CID 60982805

IUPAC6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8N6O2/c15-7-2-1-5(12-14-7)8(16)9-3-6-10-4-11-13-6/h1-2,4H,3H2,(H,9,16)(H,14,15)(H,10,11,13)
InChIKeyQWKXAYIYVYOVLK-UHFFFAOYSA-N
MW220.19 g/mol
LogP-1.18
Rot. Bonds3

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

6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide (PubChem CID 60982805) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide
PubChem CID60982805
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8N6O2/c15-7-2-1-5(12-14-7)8(16)9-3-6-10-4-11-13-6/h1-2,4H,3H2,(H,9,16)(H,14,15)(H,10,11,13)
InChIKeyQWKXAYIYVYOVLK-UHFFFAOYSA-N
XLogP-1.18
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide (CID 60982805) is 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide is O=C(NCc1ncn[nH]1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide?
The InChIKey is QWKXAYIYVYOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c15-7-2-1-5(12-14-7)8(16)9-3-6-10-4-11-13-6/h1-2,4H,3H2,(H,9,16)(H,14,15)(H,10,11,13).
What are the key properties of 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60982805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).