N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C17H15N5 — CID 3071194

IUPACN,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyHIYCGGNODCMEFG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.01
Rot. Bonds2

About N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071194) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071194
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyHIYCGGNODCMEFG-UHFFFAOYSA-N
XLogP3.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071194) is N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is HIYCGGNODCMEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).