5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C22H25N7O — CID 121320076

IUPAC5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1
InChIInChI=1S/C22H25N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-13-18-14-28(26-16(18)2)19-6-4-3-5-7-19/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,23,27)
InChIKeyNLYYUGXUUDSNIW-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.43
Rot. Bonds5

About 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320076) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320076
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1
InChIInChI=1S/C22H25N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-13-18-14-28(26-16(18)2)19-6-4-3-5-7-19/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,23,27)
InChIKeyNLYYUGXUUDSNIW-UHFFFAOYSA-N
XLogP3.43
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

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CID 24957306
2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 124663976
Ldc4297
CID 78161839
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168278835
2-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
CID 1972658
Sdccggsk-0000064.P001
CID 44589696
Pyrazolo-triazine derivative 2
CID 71731909
Trk-IN-21
CID 164886651
6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168279513
5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665812

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320076) is 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C2CCOCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.
What is the InChIKey of 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NLYYUGXUUDSNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-13-18-14-28(26-16(18)2)19-6-4-3-5-7-19/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 403.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).