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

C16H13N5 — CID 3071189

IUPACN-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChIKeyGLRABDXTKZYASM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.99
Rot. Bonds2

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

N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071189) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071189
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC NameN-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChIKeyGLRABDXTKZYASM-UHFFFAOYSA-N
XLogP2.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071189) is N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CNc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is GLRABDXTKZYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20).
What are the key properties of N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 275.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).