methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate

C13H17N5O2 — CID 100690645

IUPACmethyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
SMILESCCN(Cc1cnn(C)c1)c1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H17N5O2/c1-4-18(9-10-7-14-17(2)8-10)12-6-5-11(15-16-12)13(19)20-3/h5-8H,4,9H2,1-3H3
InChIKeyPRXBRUBYBBMKHD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.02
Rot. Bonds5

About methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate

methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate (PubChem CID 100690645) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
PubChem CID100690645
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
SMILESCCN(Cc1cnn(C)c1)c1ccc(C(=O)OC)nn1
InChIInChI=1S/C13H17N5O2/c1-4-18(9-10-7-14-17(2)8-10)12-6-5-11(15-16-12)13(19)20-3/h5-8H,4,9H2,1-3H3
InChIKeyPRXBRUBYBBMKHD-UHFFFAOYSA-N
XLogP1.02
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate (CID 100690645) is methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate is CCN(Cc1cnn(C)c1)c1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate?
The InChIKey is PRXBRUBYBBMKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-18(9-10-7-14-17(2)8-10)12-6-5-11(15-16-12)13(19)20-3/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate?
methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 100690645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).