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

C22H17N5 — CID 3071192

IUPACN-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESc1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1
InChIInChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)
InChIKeyBGZRYVWWMJHNHC-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.56
Rot. Bonds4

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

N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 3071192) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID3071192
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESc1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1
InChIInChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26)
InChIKeyBGZRYVWWMJHNHC-UHFFFAOYSA-N
XLogP4.56
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.56
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
L-Moses
CID 131698638
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
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
N',N'-dimethyl-N-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
CID 1970320

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 3071192) is N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1.
What is the InChIKey of N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is BGZRYVWWMJHNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-23-20-18-13-7-8-14-19(18)22-25-24-21(27(22)26-20)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,26).
What are the key properties of N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 351.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 3071192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).