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

C16H22N4O2 — CID 95347987

IUPAC(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)COc1ccccc1)CC2
InChIInChI=1S/C16H22N4O2/c1-12-18-16-8-7-13(10-20(16)19-12)17-9-14(21)11-22-15-5-3-2-4-6-15/h2-6,13-14,17,21H,7-11H2,1H3/t13-,14+/m1/s1
InChIKeyQBERJFGKPFPSBS-KGLIPLIRSA-N
MW302.38 g/mol
LogP0.93
Rot. Bonds6

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

(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 95347987) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
PubChem CID95347987
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)COc1ccccc1)CC2
InChIInChI=1S/C16H22N4O2/c1-12-18-16-8-7-13(10-20(16)19-12)17-9-14(21)11-22-15-5-3-2-4-6-15/h2-6,13-14,17,21H,7-11H2,1H3/t13-,14+/m1/s1
InChIKeyQBERJFGKPFPSBS-KGLIPLIRSA-N
XLogP0.93
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610620
(2S)-1-[benzyl(methyl)amino]-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610619
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95345327
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95979078
(1R)-1-(2-chlorophenyl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanol
CID 95979079
(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
(2S)-1-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95322946
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129461201
(2R)-1-(4-chlorophenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95337358
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
CID 64654934
(6S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346072

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol (CID 95347987) is (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol is Cc1nc2n(n1)C[C@H](NC[C@H](O)COc1ccccc1)CC2.
What is the InChIKey of (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is QBERJFGKPFPSBS-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-18-16-8-7-13(10-20(16)19-12)17-9-14(21)11-22-15-5-3-2-4-6-15/h2-6,13-14,17,21H,7-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol?
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95347987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).