N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine

C15H18ClN3 — CID 61255095

IUPACN-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)N(Cc1ccccc1)c1ccc(CCl)nn1
InChIInChI=1S/C15H18ClN3/c1-12(2)19(11-13-6-4-3-5-7-13)15-9-8-14(10-16)17-18-15/h3-9,12H,10-11H2,1-2H3
InChIKeyMDUBJZZPTSGBKA-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.63
Rot. Bonds5

About N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine

N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine (PubChem CID 61255095) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
PubChem CID61255095
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)N(Cc1ccccc1)c1ccc(CCl)nn1
InChIInChI=1S/C15H18ClN3/c1-12(2)19(11-13-6-4-3-5-7-13)15-9-8-14(10-16)17-18-15/h3-9,12H,10-11H2,1-2H3
InChIKeyMDUBJZZPTSGBKA-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
N-benzyl-6-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62284777
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 113044463
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
2-N-benzyl-6-N-methyl-2-N-propan-2-ylpyrazine-2,6-diamine
CID 80754126
6-(chloromethyl)-N,N-diethylpyridazin-3-amine
CID 39203370
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine (CID 61255095) is N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine is CC(C)N(Cc1ccccc1)c1ccc(CCl)nn1.
What is the InChIKey of N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine?
The InChIKey is MDUBJZZPTSGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-12(2)19(11-13-6-4-3-5-7-13)15-9-8-14(10-16)17-18-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine?
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 61255095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).