(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide

C14H20N6O2 — CID 95758088

IUPAC(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(C)nn3C2)on1
InChIInChI=1S/C14H20N6O2/c1-8-6-13(22-19-8)17-14(21)9(2)15-11-4-5-12-16-10(3)18-20(12)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,17,21)/t9-,11+/m0/s1
InChIKeyLOQWVOYMFSUCGD-GXSJLCMTSA-N
MW304.35 g/mol
LogP0.81
Rot. Bonds4

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

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide (PubChem CID 95758088) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
PubChem CID95758088
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(C)nn3C2)on1
InChIInChI=1S/C14H20N6O2/c1-8-6-13(22-19-8)17-14(21)9(2)15-11-4-5-12-16-10(3)18-20(12)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,17,21)/t9-,11+/m0/s1
InChIKeyLOQWVOYMFSUCGD-GXSJLCMTSA-N
XLogP0.81
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide (CID 95758088) is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide is Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(C)nn3C2)on1.
What is the InChIKey of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
The InChIKey is LOQWVOYMFSUCGD-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-8-6-13(22-19-8)17-14(21)9(2)15-11-4-5-12-16-10(3)18-20(12)7-11/h6,9,11,15H,4-5,7H2,1-3H3,(H,17,21)/t9-,11+/m0/s1.
What are the key properties of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide?
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide has a molecular weight of 304.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide is sourced from PubChem (CID 95758088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).