N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17F3N8 — CID 133330058

IUPACN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(N2CCCC(Nc3cc(C(F)(F)F)nc4ncnn34)C2)cn1
InChIInChI=1S/C15H17F3N8/c1-24-8-11(6-20-24)25-4-2-3-10(7-25)22-13-5-12(15(16,17)18)23-14-19-9-21-26(13)14/h5-6,8-10,22H,2-4,7H2,1H3
InChIKeyRTZVPJMNWQZEPW-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133330058) has the molecular formula C15H17F3N8 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133330058
Molecular FormulaC15H17F3N8
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC NameN-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(N2CCCC(Nc3cc(C(F)(F)F)nc4ncnn34)C2)cn1
InChIInChI=1S/C15H17F3N8/c1-24-8-11(6-20-24)25-4-2-3-10(7-25)22-13-5-12(15(16,17)18)23-14-19-9-21-26(13)14/h5-6,8-10,22H,2-4,7H2,1H3
InChIKeyRTZVPJMNWQZEPW-UHFFFAOYSA-N
XLogP1.96
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133330058) is N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cn1cc(N2CCCC(Nc3cc(C(F)(F)F)nc4ncnn34)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RTZVPJMNWQZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N8/c1-24-8-11(6-20-24)25-4-2-3-10(7-25)22-13-5-12(15(16,17)18)23-14-19-9-21-26(13)14/h5-6,8-10,22H,2-4,7H2,1H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 366.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133330058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).