(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H21N5O2 — CID 95338695

IUPAC(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccco3)oc1C)CC2
InChIInChI=1S/C17H21N5O2/c1-3-15-20-16-7-6-12(10-22(16)21-15)18-9-13-11(2)24-17(19-13)14-5-4-8-23-14/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAPDHQCIQGPDZQV-LBPRGKRZSA-N
MW327.39 g/mol
LogP2.50
Rot. Bonds5

About (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95338695) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95338695
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccco3)oc1C)CC2
InChIInChI=1S/C17H21N5O2/c1-3-15-20-16-7-6-12(10-22(16)21-15)18-9-13-11(2)24-17(19-13)14-5-4-8-23-14/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyAPDHQCIQGPDZQV-LBPRGKRZSA-N
XLogP2.50
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-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

(6R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95333899
(6S)-2-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95337424
(6S)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329761
(6R)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329760
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127535
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95328357
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95325981

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95338695) is (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)C[C@@H](NCc1nc(-c3ccco3)oc1C)CC2.
What is the InChIKey of (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is APDHQCIQGPDZQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-15-20-16-7-6-12(10-22(16)21-15)18-9-13-11(2)24-17(19-13)14-5-4-8-23-14/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 327.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-N-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95338695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).