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

C17H15N5 — CID 3071190

IUPACN-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C17H15N5/c1-2-18-15-13-10-6-7-11-14(13)17-20-19-16(22(17)21-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyUTOJJUJERHHGQC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.38
Rot. Bonds3

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

N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071190) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071190
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C17H15N5/c1-2-18-15-13-10-6-7-11-14(13)17-20-19-16(22(17)21-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyUTOJJUJERHHGQC-UHFFFAOYSA-N
XLogP3.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071190) is N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CCNc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is UTOJJUJERHHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-18-15-13-10-6-7-11-14(13)17-20-19-16(22(17)21-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21).
What are the key properties of N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).