[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C13H20F3N5 — CID 64755509

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)10-1-3-12(8-17,4-2-10)21-6-5-20-9-18-19-11(20)7-21/h9-10H,1-8,17H2
InChIKeyKEJQQDYLQJCUME-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.54
Rot. Bonds2

About [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64755509) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64755509
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)10-1-3-12(8-17,4-2-10)21-6-5-20-9-18-19-11(20)7-21/h9-10H,1-8,17H2
InChIKeyKEJQQDYLQJCUME-UHFFFAOYSA-N
XLogP1.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64755509) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCn3cnnc3C2)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KEJQQDYLQJCUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)10-1-3-12(8-17,4-2-10)21-6-5-20-9-18-19-11(20)7-21/h9-10H,1-8,17H2.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64755509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).