1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

C14H17F3N4S — CID 97071609

IUPAC1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCc1ccc(CNCc2nnc3n2C[C@H](C(F)(F)F)CC3)s1
InChIInChI=1S/C14H17F3N4S/c1-9-2-4-11(22-9)6-18-7-13-20-19-12-5-3-10(8-21(12)13)14(15,16)17/h2,4,10,18H,3,5-8H2,1H3/t10-/m1/s1
InChIKeyJFJCJTFFZAAQNB-SNVBAGLBSA-N
MW330.38 g/mol
LogP3.06
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (PubChem CID 97071609) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
PubChem CID97071609
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC Name1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCc1ccc(CNCc2nnc3n2C[C@H](C(F)(F)F)CC3)s1
InChIInChI=1S/C14H17F3N4S/c1-9-2-4-11(22-9)6-18-7-13-20-19-12-5-3-10(8-21(12)13)14(15,16)17/h2,4,10,18H,3,5-8H2,1H3/t10-/m1/s1
InChIKeyJFJCJTFFZAAQNB-SNVBAGLBSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (CID 97071609) is 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is Cc1ccc(CNCc2nnc3n2C[C@H](C(F)(F)F)CC3)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is JFJCJTFFZAAQNB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-9-2-4-11(22-9)6-18-7-13-20-19-12-5-3-10(8-21(12)13)14(15,16)17/h2,4,10,18H,3,5-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 330.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 97071609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).