5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H18F3N7 — CID 110245298

IUPAC5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1nccc1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C16H18F3N7/c1-24-12(4-5-21-24)9-25-6-2-3-11(8-25)13-7-14(16(17,18)19)26-15(23-13)20-10-22-26/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChIKeyLNDJSFBWJZNJCD-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.26
Rot. Bonds3

About 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 110245298) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID110245298
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC Name5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCn1nccc1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C16H18F3N7/c1-24-12(4-5-21-24)9-25-6-2-3-11(8-25)13-7-14(16(17,18)19)26-15(23-13)20-10-22-26/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChIKeyLNDJSFBWJZNJCD-UHFFFAOYSA-N
XLogP2.26
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 110245298) is 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cn1nccc1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1.
What is the InChIKey of 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LNDJSFBWJZNJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-24-12(4-5-21-24)9-25-6-2-3-11(8-25)13-7-14(16(17,18)19)26-15(23-13)20-10-22-26/h4-5,7,10-11H,2-3,6,8-9H2,1H3.
What are the key properties of 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 365.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).