N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine

C16H19N5 — CID 79755479

IUPACN-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
SMILESCCCn1c(Cc2ccc(NC)nn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-3-10-21-14-7-5-4-6-13(14)18-16(21)11-12-8-9-15(17-2)20-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,20)
InChIKeyVAWXMGZYXLJNEQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine

N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine (PubChem CID 79755479) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
PubChem CID79755479
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
SMILESCCCn1c(Cc2ccc(NC)nn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-3-10-21-14-7-5-4-6-13(14)18-16(21)11-12-8-9-15(17-2)20-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,20)
InChIKeyVAWXMGZYXLJNEQ-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
CID 105371351
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine (CID 79755479) is N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine is CCCn1c(Cc2ccc(NC)nn2)nc2ccccc21.
What is the InChIKey of N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine?
The InChIKey is VAWXMGZYXLJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-10-21-14-7-5-4-6-13(14)18-16(21)11-12-8-9-15(17-2)20-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine?
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine has a molecular weight of 281.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 79755479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).