(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

C15H26N4O3 — CID 129461201

IUPAC(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
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)COC[C@H]1CCCO1)CC2
InChIInChI=1S/C15H26N4O3/c1-11-17-15-5-4-12(8-19(15)18-11)16-7-13(20)9-21-10-14-3-2-6-22-14/h12-14,16,20H,2-10H2,1H3/t12-,13+,14-/m1/s1
InChIKeyNDUGJWXFBFAQOW-HZSPNIEDSA-N
MW310.40 g/mol
LogP0.05
Rot. Bonds7

About (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

(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 (PubChem CID 129461201) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 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-[[(2R)-oxolan-2-yl]methoxy]propan-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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID129461201
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(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
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)COC[C@H]1CCCO1)CC2
InChIInChI=1S/C15H26N4O3/c1-11-17-15-5-4-12(8-19(15)18-11)16-7-13(20)9-21-10-14-3-2-6-22-14/h12-14,16,20H,2-10H2,1H3/t12-,13+,14-/m1/s1
InChIKeyNDUGJWXFBFAQOW-HZSPNIEDSA-N
XLogP0.05
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95345327
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
(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
(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
(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
(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
(6R)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346870
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882

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-[[(2R)-oxolan-2-yl]methoxy]propan-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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (CID 129461201) is (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.
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-[[(2R)-oxolan-2-yl]methoxy]propan-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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is Cc1nc2n(n1)C[C@H](NC[C@H](O)COC[C@H]1CCCO1)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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is NDUGJWXFBFAQOW-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11-17-15-5-4-12(8-19(15)18-11)16-7-13(20)9-21-10-14-3-2-6-22-14/h12-14,16,20H,2-10H2,1H3/t12-,13+,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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
(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 has a molecular weight of 310.40 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 129461201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).