2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H20N6OS — CID 56780063

IUPAC2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nc(-c3ccsc3)no1)CC2
InChIInChI=1S/C16H20N6OS/c1-10(2)15-18-13-4-3-12(8-22(13)20-15)17-7-14-19-16(21-23-14)11-5-6-24-9-11/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3
InChIKeyPIDHKLRKNRUHKH-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.62
Rot. Bonds5

About 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780063) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780063
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nc(-c3ccsc3)no1)CC2
InChIInChI=1S/C16H20N6OS/c1-10(2)15-18-13-4-3-12(8-22(13)20-15)17-7-14-19-16(21-23-14)11-5-6-24-9-11/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3
InChIKeyPIDHKLRKNRUHKH-UHFFFAOYSA-N
XLogP2.62
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-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

(6S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95341679
(6R)-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95339675
2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780081
(6S)-2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607520
N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780960
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904
3-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124039
N,N-diethyl-5-[[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-1,3-thiazol-2-amine
CID 95610713
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780063) is 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)c1nc2n(n1)CC(NCc1nc(-c3ccsc3)no1)CC2.
What is the InChIKey of 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is PIDHKLRKNRUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10(2)15-18-13-4-3-12(8-22(13)20-15)17-7-14-19-16(21-23-14)11-5-6-24-9-11/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 344.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).