(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C15H16N4S2 — CID 95292850

IUPAC(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1csc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)c1
InChIInChI=1S/C15H16N4S2/c1-2-14(20-5-1)11-6-13(21-9-11)7-16-12-3-4-15-17-10-18-19(15)8-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2/t12-/m0/s1
InChIKeyIBQSZMOSORCGOT-LBPRGKRZSA-N
MW316.45 g/mol
LogP3.17
Rot. Bonds4

About (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95292850) has the molecular formula C15H16N4S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95292850
Molecular FormulaC15H16N4S2
Molecular Weight316.45 g/mol
Exact Mass316.08
IUPAC Name(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1csc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)c1
InChIInChI=1S/C15H16N4S2/c1-2-14(20-5-1)11-6-13(21-9-11)7-16-12-3-4-15-17-10-18-19(15)8-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2/t12-/m0/s1
InChIKeyIBQSZMOSORCGOT-LBPRGKRZSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115732375
(6S)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95304751
(6R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95299685
1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
(6S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291898
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
(6S)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291896
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 63454108
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95292850) is (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is c1csc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)c1.
What is the InChIKey of (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is IBQSZMOSORCGOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-2-14(20-5-1)11-6-13(21-9-11)7-16-12-3-4-15-17-10-18-19(15)8-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2/t12-/m0/s1.
What are the key properties of (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 316.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).