(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

C16H22N4O2 — CID 95322946

IUPAC(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
SMILESCc1cccc(OC[C@@H](O)CN[C@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C16H22N4O2/c1-12-3-2-4-15(7-12)22-10-14(21)8-17-13-5-6-16-18-11-19-20(16)9-13/h2-4,7,11,13-14,17,21H,5-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyYNJAVRCAYRPNFY-KBPBESRZSA-N
MW302.38 g/mol
LogP0.93
Rot. Bonds6

About (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

(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 (PubChem CID 95322946) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95322946
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(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
SMILESCc1cccc(OC[C@@H](O)CN[C@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C16H22N4O2/c1-12-3-2-4-15(7-12)22-10-14(21)8-17-13-5-6-16-18-11-19-20(16)9-13/h2-4,7,11,13-14,17,21H,5-6,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyYNJAVRCAYRPNFY-KBPBESRZSA-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-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol with MolForge

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Related Compounds

(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
(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
(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
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95751108
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
(6S)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291896
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc(OC[C@@H](O)CN[C@H]2CCc3ncnn3C2)c1.
What is the InChIKey of (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?
The InChIKey is YNJAVRCAYRPNFY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-2-4-15(7-12)22-10-14(21)8-17-13-5-6-16-18-11-19-20(16)9-13/h2-4,7,11,13-14,17,21H,5-6,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (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?
(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 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-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol is sourced from PubChem (CID 95322946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).