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

C18H17N5 — CID 3071191

IUPAC3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCC(C)Nc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C18H17N5/c1-12(2)19-16-14-10-6-7-11-15(14)18-21-20-17(23(18)22-16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22)
InChIKeyNOGHTYRGACUGMV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.76
Rot. Bonds3

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

3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071191) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound Name3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071191
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCC(C)Nc1nn2c(-c3ccccc3)nnc2c2ccccc12
InChIInChI=1S/C18H17N5/c1-12(2)19-16-14-10-6-7-11-15(14)18-21-20-17(23(18)22-16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22)
InChIKeyNOGHTYRGACUGMV-UHFFFAOYSA-N
XLogP3.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.76
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
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
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
Acetamide, N-(4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)-
CID 3071202
Akt-l-1
CID 10271028
1-(1-Methylethyl)-3-(Naphthalen-1-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24864847

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071191) is 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CC(C)Nc1nn2c(-c3ccccc3)nnc2c2ccccc12.
What is the InChIKey of 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is NOGHTYRGACUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12(2)19-16-14-10-6-7-11-15(14)18-21-20-17(23(18)22-16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22).
What are the key properties of 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 303.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).