(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

C15H23N5O — CID 95341679

IUPAC(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
SMILESCc1nc(CN[C@H]2CCc3nc(C(C)C)nn3C2)oc1C
InChIInChI=1S/C15H23N5O/c1-9(2)15-18-13-6-5-12(8-20(13)19-15)16-7-14-17-10(3)11(4)21-14/h9,12,16H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyLXKWMECRKKBYBA-LBPRGKRZSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds4

About (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

(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 (PubChem CID 95341679) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95341679
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(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
SMILESCc1nc(CN[C@H]2CCc3nc(C(C)C)nn3C2)oc1C
InChIInChI=1S/C15H23N5O/c1-9(2)15-18-13-6-5-12(8-20(13)19-15)16-7-14-17-10(3)11(4)21-14/h9,12,16H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyLXKWMECRKKBYBA-LBPRGKRZSA-N
XLogP2.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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
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
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-phenylfuran-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127567
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
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95610696
(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
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
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
(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
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
(2S)-1-morpholin-4-yl-3-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610385

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(CN[C@H]2CCc3nc(C(C)C)nn3C2)oc1C.
What is the InChIKey of (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?
The InChIKey is LXKWMECRKKBYBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9(2)15-18-13-6-5-12(8-20(13)19-15)16-7-14-17-10(3)11(4)21-14/h9,12,16H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 289.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).