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

C19H29N5O — CID 95343455

IUPAC(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
SMILESCCc1nc2n(n1)C[C@@H](NC[C@H](O)CN(C)Cc1ccccc1)CC2
InChIInChI=1S/C19H29N5O/c1-3-18-21-19-10-9-16(13-24(19)22-18)20-11-17(25)14-23(2)12-15-7-5-4-6-8-15/h4-8,16-17,20,25H,3,9-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyAXXPMVXAWAHNBO-IRXDYDNUSA-N
MW343.47 g/mol
LogP1.24
Rot. Bonds8

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

(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (PubChem CID 95343455) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-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-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
PubChem CID95343455
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
SMILESCCc1nc2n(n1)C[C@@H](NC[C@H](O)CN(C)Cc1ccccc1)CC2
InChIInChI=1S/C19H29N5O/c1-3-18-21-19-10-9-16(13-24(19)22-18)20-11-17(25)14-23(2)12-15-7-5-4-6-8-15/h4-8,16-17,20,25H,3,9-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyAXXPMVXAWAHNBO-IRXDYDNUSA-N
XLogP1.24
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-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-[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
(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
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
(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
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
(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
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-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-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (CID 95343455) is (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-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-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-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-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol is CCc1nc2n(n1)C[C@@H](NC[C@H](O)CN(C)Cc1ccccc1)CC2.
What is the InChIKey of (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol?
The InChIKey is AXXPMVXAWAHNBO-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-18-21-19-10-9-16(13-24(19)22-18)20-11-17(25)14-23(2)12-15-7-5-4-6-8-15/h4-8,16-17,20,25H,3,9-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol?
(2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl(methyl)amino]-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol is sourced from PubChem (CID 95343455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).