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

C19H19N5 — CID 3071195

IUPACN,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCN(CC)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C19H19N5/c1-3-23(4-2)19-16-13-9-8-12-15(16)18-21-20-17(24(18)22-19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyMYVVUIHTMICTCX-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.79
Rot. Bonds4

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

N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071195) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071195
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCN(CC)c1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C19H19N5/c1-3-23(4-2)19-16-13-9-8-12-15(16)18-21-20-17(24(18)22-19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyMYVVUIHTMICTCX-UHFFFAOYSA-N
XLogP3.79
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071195) is N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CCN(CC)c1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is MYVVUIHTMICTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-3-23(4-2)19-16-13-9-8-12-15(16)18-21-20-17(24(18)22-19)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 317.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).