N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide

C11H15N3O2 — CID 9168301

IUPACN-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)ccc1=O
InChIInChI=1S/C11H15N3O2/c1-14-10(15)7-6-9(13-14)11(16)12-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,16)
InChIKeyULAIFJQNLFXQCP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.45
Rot. Bonds2

About N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide

N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 9168301) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID9168301
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)ccc1=O
InChIInChI=1S/C11H15N3O2/c1-14-10(15)7-6-9(13-14)11(16)12-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,16)
InChIKeyULAIFJQNLFXQCP-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide (CID 9168301) is N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCCC2)ccc1=O.
What is the InChIKey of N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ULAIFJQNLFXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-10(15)7-6-9(13-14)11(16)12-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,16).
What are the key properties of N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide?
N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9168301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).