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

C18H19N7 — CID 71923671

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCCc3nc4ccccc4[nH]3)nn2)n1
InChIInChI=1S/C18H19N7/c1-13-10-12-25(24-13)18-9-8-16(22-23-18)19-11-4-7-17-20-14-5-2-3-6-15(14)21-17/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZCUMHSSYPJFXFT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.89
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 71923671) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID71923671
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCCCc3nc4ccccc4[nH]3)nn2)n1
InChIInChI=1S/C18H19N7/c1-13-10-12-25(24-13)18-9-8-16(22-23-18)19-11-4-7-17-20-14-5-2-3-6-15(14)21-17/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZCUMHSSYPJFXFT-UHFFFAOYSA-N
XLogP2.89
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133346670
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
1-(2-fluorophenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]methanesulfonamide
CID 122327359
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
CID 133359322
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 71923671) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(NCCCc3nc4ccccc4[nH]3)nn2)n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is ZCUMHSSYPJFXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-13-10-12-25(24-13)18-9-8-16(22-23-18)19-11-4-7-17-20-14-5-2-3-6-15(14)21-17/h2-3,5-6,8-10,12H,4,7,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 333.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 71923671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).