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

C15H11N5 — CID 3071188

IUPAC3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C15H11N5/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyNEDQMTDMHRJKRO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.53
Rot. Bonds1

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

3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071188) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound Name3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071188
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESNc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C15H11N5/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyNEDQMTDMHRJKRO-UHFFFAOYSA-N
XLogP2.53
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
1,2,4-Triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-pyrrolidinyl)-
CID 3071185
1,2,4-Triazolo(3,4-a)phthalazine, 6-(4-morpholinyl)-3-phenyl-
CID 3071186
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-dimethyl-3-phenyl-
CID 3071194
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazine, 3-phenyl-6-(1-piperidinyl)-
CID 3071196
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
L-Moses
CID 131698638
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
5-Methylbenzimidazolo[2,1-a]phthalazine
CID 650521
N-(4-methylbenzyl)-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 2727469

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071188) is 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is Nc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is NEDQMTDMHRJKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-13-11-8-4-5-9-12(11)15-18-17-14(20(15)19-13)10-6-2-1-3-7-10/h1-9H,(H2,16,19).
What are the key properties of 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 261.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).