6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide

C11H14ClN3O — CID 63955165

IUPAC6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c1-2-15(7-8-3-4-8)11(16)9-5-6-10(12)14-13-9/h5-6,8H,2-4,7H2,1H3
InChIKeyKBWTULXWXRINCE-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.00
Rot. Bonds4

About 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide

6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide (PubChem CID 63955165) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide
PubChem CID63955165
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c1-2-15(7-8-3-4-8)11(16)9-5-6-10(12)14-13-9/h5-6,8H,2-4,7H2,1H3
InChIKeyKBWTULXWXRINCE-UHFFFAOYSA-N
XLogP2.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide (CID 63955165) is 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide is CCN(CC1CC1)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide?
The InChIKey is KBWTULXWXRINCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-15(7-8-3-4-8)11(16)9-5-6-10(12)14-13-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide?
6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 63955165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).