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

C18H17N5 — CID 3071198

IUPACN-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C18H17N5/c1-3-22(2)18-15-12-8-7-11-14(15)17-20-19-16(23(17)21-18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyZLQUOXVDPWOMCY-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.40
Rot. Bonds3

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

N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071198) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071198
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C18H17N5/c1-3-22(2)18-15-12-8-7-11-14(15)17-20-19-16(23(17)21-18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyZLQUOXVDPWOMCY-UHFFFAOYSA-N
XLogP3.40
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071198) is N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CCN(C)c1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is ZLQUOXVDPWOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-22(2)18-15-12-8-7-11-14(15)17-20-19-16(23(17)21-18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 303.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).