N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

C12H12N6O — CID 104670334

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H12N6O/c1-3-10-9(4-7(2)16-17-10)12(19)15-11-8(5-13)6-14-18-11/h4,6H,3H2,1-2H3,(H2,14,15,18,19)
InChIKeyLASLRMYETDQUSS-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.19
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104670334) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104670334
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H12N6O/c1-3-10-9(4-7(2)16-17-10)12(19)15-11-8(5-13)6-14-18-11/h4,6H,3H2,1-2H3,(H2,14,15,18,19)
InChIKeyLASLRMYETDQUSS-UHFFFAOYSA-N
XLogP1.19
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104670334) is N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is LASLRMYETDQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-3-10-9(4-7(2)16-17-10)12(19)15-11-8(5-13)6-14-18-11/h4,6H,3H2,1-2H3,(H2,14,15,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104670334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).