N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C19H21N7 — CID 133346670

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCCc3nc4ccccc4n3C)nn2)n1
InChIInChI=1S/C19H21N7/c1-14-11-13-26(24-14)19-10-9-17(22-23-19)20-12-5-8-18-21-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,20,22)
InChIKeyPKWBQDLNHMJJSX-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133346670) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133346670
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCCc3nc4ccccc4n3C)nn2)n1
InChIInChI=1S/C19H21N7/c1-14-11-13-26(24-14)19-10-9-17(22-23-19)20-12-5-8-18-21-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,20,22)
InChIKeyPKWBQDLNHMJJSX-UHFFFAOYSA-N
XLogP2.90
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 71923671
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 75424817
1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133346670) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(NCCCc3nc4ccccc4n3C)nn2)n1.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is PKWBQDLNHMJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-11-13-26(24-14)19-10-9-17(22-23-19)20-12-5-8-18-21-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 347.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).