N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine

C19H19N5O — CID 142687217

IUPACN,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nnc3c4ccccc4ncn23)cc1
InChIInChI=1S/C19H19N5O/c1-23(2)11-12-25-15-9-7-14(8-10-15)18-21-22-19-16-5-3-4-6-17(16)20-13-24(18)19/h3-10,13H,11-12H2,1-2H3
InChIKeyYSJOYOBJESFXNV-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.88
Rot. Bonds5

About N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine

N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine (PubChem CID 142687217) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
PubChem CID142687217
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2nnc3c4ccccc4ncn23)cc1
InChIInChI=1S/C19H19N5O/c1-23(2)11-12-25-15-9-7-14(8-10-15)18-21-22-19-16-5-3-4-6-17(16)20-13-24(18)19/h3-10,13H,11-12H2,1-2H3
InChIKeyYSJOYOBJESFXNV-UHFFFAOYSA-N
XLogP2.88
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine (CID 142687217) is N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine is CN(C)CCOc1ccc(-c2nnc3c4ccccc4ncn23)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine?
The InChIKey is YSJOYOBJESFXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23(2)11-12-25-15-9-7-14(8-10-15)18-21-22-19-16-5-3-4-6-17(16)20-13-24(18)19/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine has a molecular weight of 333.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine is sourced from PubChem (CID 142687217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).