2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide

C12H16N6O2 — CID 103874313

IUPAC2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC(C)c2ncn[nH]2)c1C
InChIInChI=1S/C12H16N6O2/c1-6-7(2)17-18(4)12(20)9(6)11(19)15-8(3)10-13-5-14-16-10/h5,8H,1-4H3,(H,15,19)(H,13,14,16)
InChIKeyYSEITJXROKRINV-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.01
Rot. Bonds3

About 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide (PubChem CID 103874313) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
PubChem CID103874313
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC(C)c2ncn[nH]2)c1C
InChIInChI=1S/C12H16N6O2/c1-6-7(2)17-18(4)12(20)9(6)11(19)15-8(3)10-13-5-14-16-10/h5,8H,1-4H3,(H,15,19)(H,13,14,16)
InChIKeyYSEITJXROKRINV-UHFFFAOYSA-N
XLogP0.01
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
CID 64511665
methyl 3-methyl-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoate
CID 43623156
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 95632509
4-bromo-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 103741565
6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 103741517
2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide
CID 97250763
2,5,6-trimethyl-3-oxo-N-(1-pyridin-2-ylbutyl)pyridazine-4-carboxamide
CID 75395232
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide (CID 103874313) is 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NC(C)c2ncn[nH]2)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide?
The InChIKey is YSEITJXROKRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-6-7(2)17-18(4)12(20)9(6)11(19)15-8(3)10-13-5-14-16-10/h5,8H,1-4H3,(H,15,19)(H,13,14,16).
What are the key properties of 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 103874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).