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

C11H14N6O2 — CID 64510110

IUPACN,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)14-16-10(18)9(6)11(19)17(3)4-8-12-5-13-15-8/h5H,4H2,1-3H3,(H,16,18)(H,12,13,15)
InChIKeyCEWRNAQPKJBMCP-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.22
Rot. Bonds3

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

N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (PubChem CID 64510110) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
PubChem CID64510110
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C
InChIInChI=1S/C11H14N6O2/c1-6-7(2)14-16-10(18)9(6)11(19)17(3)4-8-12-5-13-15-8/h5H,4H2,1-3H3,(H,16,18)(H,12,13,15)
InChIKeyCEWRNAQPKJBMCP-UHFFFAOYSA-N
XLogP-0.22
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide (CID 64510110) is N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C.
What is the InChIKey of N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
The InChIKey is CEWRNAQPKJBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-6-7(2)14-16-10(18)9(6)11(19)17(3)4-8-12-5-13-15-8/h5H,4H2,1-3H3,(H,16,18)(H,12,13,15).
What are the key properties of N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide?
N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 64510110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).