5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid

C12H15N5O3 — CID 106423241

IUPAC5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nc(CCNc2nnc(C)c(C)c2C(=O)O)no1
InChIInChI=1S/C12H15N5O3/c1-6-7(2)15-16-11(10(6)12(18)19)13-5-4-9-14-8(3)20-17-9/h4-5H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyAMZVTCAQWZUVNX-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.14
Rot. Bonds5

About 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 106423241) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID106423241
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESCc1nc(CCNc2nnc(C)c(C)c2C(=O)O)no1
InChIInChI=1S/C12H15N5O3/c1-6-7(2)15-16-11(10(6)12(18)19)13-5-4-9-14-8(3)20-17-9/h4-5H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyAMZVTCAQWZUVNX-UHFFFAOYSA-N
XLogP1.14
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 63245456
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 106377678
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
5,6-dimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridazine-4-carboxylic acid
CID 106377656

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid (CID 106423241) is 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid is Cc1nc(CCNc2nnc(C)c(C)c2C(=O)O)no1.
What is the InChIKey of 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is AMZVTCAQWZUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6-7(2)15-16-11(10(6)12(18)19)13-5-4-9-14-8(3)20-17-9/h4-5H2,1-3H3,(H,13,16)(H,18,19).
What are the key properties of 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 106423241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).