N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide

C15H19N4O+ — CID 54151478

IUPACN-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide
SMILESCc1cc(-c2ccccc2)n[n+](CCCNC=O)c1N
InChIInChI=1S/C15H18N4O/c1-12-10-14(13-6-3-2-4-7-13)18-19(15(12)16)9-5-8-17-11-20/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,17,20)/p+1
InChIKeyOIAUSXLUPSSIDH-UHFFFAOYSA-O
MW271.34 g/mol
LogP1.06
Rot. Bonds6

About N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide

N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide (PubChem CID 54151478) has the molecular formula C15H19N4O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide
PubChem CID54151478
Molecular FormulaC15H19N4O+
Molecular Weight271.34 g/mol
Exact Mass271.16
IUPAC NameN-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide
SMILESCc1cc(-c2ccccc2)n[n+](CCCNC=O)c1N
InChIInChI=1S/C15H18N4O/c1-12-10-14(13-6-3-2-4-7-13)18-19(15(12)16)9-5-8-17-11-20/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,17,20)/p+1
InChIKeyOIAUSXLUPSSIDH-UHFFFAOYSA-O
XLogP1.06
TPSA71.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide?
The IUPAC name of N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide (CID 54151478) is N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide.
What is the SMILES notation for N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide?
The canonical SMILES for N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide is Cc1cc(-c2ccccc2)n[n+](CCCNC=O)c1N.
What is the InChIKey of N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide?
The InChIKey is OIAUSXLUPSSIDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O/c1-12-10-14(13-6-3-2-4-7-13)18-19(15(12)16)9-5-8-17-11-20/h2-4,6-7,10-11,16H,5,8-9H2,1H3,(H,17,20)/p+1.
What are the key properties of N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide?
N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide has a molecular weight of 271.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)propyl]formamide is sourced from PubChem (CID 54151478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).