(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

C14H20N4O3 — CID 95751108

IUPAC(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
SMILESO[C@@H](CN[C@@H]1CCc2ncnn2C1)COCc1ccco1
InChIInChI=1S/C14H20N4O3/c19-12(8-20-9-13-2-1-5-21-13)6-15-11-3-4-14-16-10-17-18(14)7-11/h1-2,5,10-12,15,19H,3-4,6-9H2/t11-,12+/m1/s1
InChIKeyVVSWKOSEYWSNSH-NEPJUHHUSA-N
MW292.34 g/mol
LogP0.35
Rot. Bonds7

About (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

(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 (PubChem CID 95751108) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95751108
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(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
SMILESO[C@@H](CN[C@@H]1CCc2ncnn2C1)COCc1ccco1
InChIInChI=1S/C14H20N4O3/c19-12(8-20-9-13-2-1-5-21-13)6-15-11-3-4-14-16-10-17-18(14)7-11/h1-2,5,10-12,15,19H,3-4,6-9H2/t11-,12+/m1/s1
InChIKeyVVSWKOSEYWSNSH-NEPJUHHUSA-N
XLogP0.35
TPSA85.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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-(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
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
(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
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 63922347
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82726496
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O[C@@H](CN[C@@H]1CCc2ncnn2C1)COCc1ccco1.
What is the InChIKey of (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?
The InChIKey is VVSWKOSEYWSNSH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12(8-20-9-13-2-1-5-21-13)6-15-11-3-4-14-16-10-17-18(14)7-11/h1-2,5,10-12,15,19H,3-4,6-9H2/t11-,12+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 292.34 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).