3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C17H15N9O — CID 18361817

IUPAC3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCc1cc(-c2nnc3c4ccccc4c(NCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H15N9O/c1-10-7-13(24-27-10)17-21-20-16-12-6-4-3-5-11(12)15(23-26(16)17)18-8-14-19-9-25(2)22-14/h3-7,9H,8H2,1-2H3,(H,18,23)
InChIKeyRIRNGMJMNBSAJS-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.98
Rot. Bonds4

About 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 18361817) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID18361817
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCc1cc(-c2nnc3c4ccccc4c(NCc4ncn(C)n4)nn23)no1
InChIInChI=1S/C17H15N9O/c1-10-7-13(24-27-10)17-21-20-16-12-6-4-3-5-11(12)15(23-26(16)17)18-8-14-19-9-25(2)22-14/h3-7,9H,8H2,1-2H3,(H,18,23)
InChIKeyRIRNGMJMNBSAJS-UHFFFAOYSA-N
XLogP1.98
TPSA111.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 21250142
5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2,4-oxadiazole
CID 18361782
3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CID 70106251
5-methyl-3-[6-[3-(6-methyl-2-pyridinyl)propoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CID 18361840
3-[6-[[3-(2-bromoethyl)triazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 131724937
N,N-dimethyl-2-[6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]propan-2-amine
CID 70098294
3-[6-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 18361833
N-[[3-methyl-5-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]triazol-4-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 10227387
1,4-dimethylpiperazine;6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carbaldehyde
CID 145324816
3-[6-[(6-imidazol-1-yl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 18361779
3-[7-ethoxy-6-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
CID 150933069
2-[[6-(5-methyl-1,2-oxazol-3-yl)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl]oxymethyl]benzonitrile
CID 18413895

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 18361817) is 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is Cc1cc(-c2nnc3c4ccccc4c(NCc4ncn(C)n4)nn23)no1.
What is the InChIKey of 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is RIRNGMJMNBSAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c1-10-7-13(24-27-10)17-21-20-16-12-6-4-3-5-11(12)15(23-26(16)17)18-8-14-19-9-25(2)22-14/h3-7,9H,8H2,1-2H3,(H,18,23).
What are the key properties of 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 361.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-oxazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 18361817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).