N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C16H18F3N7 — CID 118466927

IUPACN-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCC(C(F)(F)F)CC3)cn3ncnc23)cn1
InChIInChI=1S/C16H18F3N7/c1-25-7-12(6-21-25)23-14-15-20-9-22-26(15)8-13(24-14)10-2-4-11(5-3-10)16(17,18)19/h6-11H,2-5H2,1H3,(H,23,24)
InChIKeyAKQYBERBFZLQGZ-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.44
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 118466927) has the molecular formula C16H18F3N7 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID118466927
Molecular FormulaC16H18F3N7
Molecular Weight365.36 g/mol
Exact Mass365.16
IUPAC NameN-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCn1cc(Nc2nc(C3CCC(C(F)(F)F)CC3)cn3ncnc23)cn1
InChIInChI=1S/C16H18F3N7/c1-25-7-12(6-21-25)23-14-15-20-9-22-26(15)8-13(24-14)10-2-4-11(5-3-10)16(17,18)19/h6-11H,2-5H2,1H3,(H,23,24)
InChIKeyAKQYBERBFZLQGZ-UHFFFAOYSA-N
XLogP3.44
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 118466927) is N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Cn1cc(Nc2nc(C3CCC(C(F)(F)F)CC3)cn3ncnc23)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is AKQYBERBFZLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7/c1-25-7-12(6-21-25)23-14-15-20-9-22-26(15)8-13(24-14)10-2-4-11(5-3-10)16(17,18)19/h6-11H,2-5H2,1H3,(H,23,24).
What are the key properties of N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 365.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118466927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).