N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine

C15H17Cl2N5 — CID 130559015

IUPACN-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESCC1C(Nc2nc(Cl)nnc2Cl)CCN1Cc1ccccc1
InChIInChI=1S/C15H17Cl2N5/c1-10-12(18-14-13(16)20-21-15(17)19-14)7-8-22(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,18,19,21)
InChIKeyNXFIGDNUHQUTKX-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.25
Rot. Bonds4

About N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine

N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 130559015) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID130559015
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine
SMILESCC1C(Nc2nc(Cl)nnc2Cl)CCN1Cc1ccccc1
InChIInChI=1S/C15H17Cl2N5/c1-10-12(18-14-13(16)20-21-15(17)19-14)7-8-22(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,18,19,21)
InChIKeyNXFIGDNUHQUTKX-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-2-methylpyrrolidin-3-yl)-6-bromo-2-methylpyrimidin-4-amine
CID 130559000
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-methylpyridin-2-amine
CID 130558893
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide
CID 167992740
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine (CID 130559015) is N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine is CC1C(Nc2nc(Cl)nnc2Cl)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is NXFIGDNUHQUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c1-10-12(18-14-13(16)20-21-15(17)19-14)7-8-22(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,18,19,21).
What are the key properties of N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine?
N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 338.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpyrrolidin-3-yl)-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 130559015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).