methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

C18H20N6O2 — CID 133275678

IUPACmethyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Nc2cc(-c3ccccc3)nc3ncnn23)C1
InChIInChI=1S/C18H20N6O2/c1-26-18(25)23-9-5-8-14(11-23)21-16-10-15(13-6-3-2-4-7-13)22-17-19-12-20-24(16)17/h2-4,6-7,10,12,14,21H,5,8-9,11H2,1H3
InChIKeyLBQQSHMGLBENGL-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.43
Rot. Bonds3

About methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate (PubChem CID 133275678) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
PubChem CID133275678
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Namemethyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Nc2cc(-c3ccccc3)nc3ncnn23)C1
InChIInChI=1S/C18H20N6O2/c1-26-18(25)23-9-5-8-14(11-23)21-16-10-15(13-6-3-2-4-7-13)22-17-19-12-20-24(16)17/h2-4,6-7,10,12,14,21H,5,8-9,11H2,1H3
InChIKeyLBQQSHMGLBENGL-UHFFFAOYSA-N
XLogP2.43
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

5-phenyl-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292343
2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376377
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 133495265
N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 98212138
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78836379
methyl (2R)-3,3-dimethyl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 95975565
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345012
N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide
CID 78898532
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7436049
5-phenyl-N-[3-(pyrazol-1-ylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139017552
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate (CID 133275678) is methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate is COC(=O)N1CCCC(Nc2cc(-c3ccccc3)nc3ncnn23)C1.
What is the InChIKey of methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The InChIKey is LBQQSHMGLBENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-18(25)23-9-5-8-14(11-23)21-16-10-15(13-6-3-2-4-7-13)22-17-19-12-20-24(16)17/h2-4,6-7,10,12,14,21H,5,8-9,11H2,1H3.
What are the key properties of methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate has a molecular weight of 352.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 133275678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).