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

C12H16N6O2 — CID 64511665

IUPACN,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C
InChIInChI=1S/C12H16N6O2/c1-7-8(2)16-18(4)12(20)10(7)11(19)17(3)5-9-13-6-14-15-9/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyVBYUKOBRFIPMJM-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.21
Rot. Bonds3

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

N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide (PubChem CID 64511665) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
PubChem CID64511665
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C
InChIInChI=1S/C12H16N6O2/c1-7-8(2)16-18(4)12(20)10(7)11(19)17(3)5-9-13-6-14-15-9/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyVBYUKOBRFIPMJM-UHFFFAOYSA-N
XLogP-0.21
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 54883341
2,5,6-trimethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
CID 54883674
3,4-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 54884765
6-oxo-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 54885292
1-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 54885379
7-({[2-(Diethylamino)ethyl]amino}methyl)-8-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-ol
CID 56693558
1-butyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 60982538
6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-3-carboxamide
CID 60982805
3,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2,5-dione
CID 63267196
N,1-dimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64509908
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 64510016
N,3,4-trimethyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 64510110

Frequently Asked Questions

What is the IUPAC name of N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The IUPAC name of N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide (CID 64511665) is N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The canonical SMILES for N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)N(C)Cc2ncn[nH]2)c1C.
What is the InChIKey of N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
The InChIKey is VBYUKOBRFIPMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-8(2)16-18(4)12(20)10(7)11(19)17(3)5-9-13-6-14-15-9/h6H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide?
N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 64511665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).