N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide

C13H15N3O — CID 143153825

IUPACN-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide
SMILESC[C@@H](NC=O)c1ccc(N2CC=CC=N2)cc1
InChIInChI=1S/C13H15N3O/c1-11(14-10-17)12-4-6-13(7-5-12)16-9-3-2-8-15-16/h2-8,10-11H,9H2,1H3,(H,14,17)/t11-/m1/s1
InChIKeyRPYMKRLJPWOLIW-LLVKDONJSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds4

About N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide

N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide (PubChem CID 143153825) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide
PubChem CID143153825
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide
SMILESC[C@@H](NC=O)c1ccc(N2CC=CC=N2)cc1
InChIInChI=1S/C13H15N3O/c1-11(14-10-17)12-4-6-13(7-5-12)16-9-3-2-8-15-16/h2-8,10-11H,9H2,1H3,(H,14,17)/t11-/m1/s1
InChIKeyRPYMKRLJPWOLIW-LLVKDONJSA-N
XLogP1.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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N-[(1S)-1-[4-(4-methyl-5H-1,2,5-oxathiazol-3-yl)phenyl]ethyl]formamide
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N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
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CID 87419135

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide?
The IUPAC name of N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide (CID 143153825) is N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide?
The canonical SMILES for N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide is C[C@@H](NC=O)c1ccc(N2CC=CC=N2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide?
The InChIKey is RPYMKRLJPWOLIW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11(14-10-17)12-4-6-13(7-5-12)16-9-3-2-8-15-16/h2-8,10-11H,9H2,1H3,(H,14,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide?
N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide has a molecular weight of 229.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(3H-pyridazin-2-yl)phenyl]ethyl]formamide is sourced from PubChem (CID 143153825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).