(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

C15H19ClN4O — CID 95979079

IUPAC(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
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)c1ccccc1Cl)CC2
InChIInChI=1S/C15H19ClN4O/c1-10-18-15-7-6-11(9-20(15)19-10)17-8-14(21)12-4-2-3-5-13(12)16/h2-5,11,14,17,21H,6-9H2,1H3/t11-,14+/m1/s1
InChIKeyPHGPQYDDBHUXLR-RISCZKNCSA-N
MW306.80 g/mol
LogP1.88
Rot. Bonds4

About (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

(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 (PubChem CID 95979079) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95979079
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(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
SMILESCc1nc2n(n1)C[C@H](NC[C@H](O)c1ccccc1Cl)CC2
InChIInChI=1S/C15H19ClN4O/c1-10-18-15-7-6-11(9-20(15)19-10)17-8-14(21)12-4-2-3-5-13(12)16/h2-5,11,14,17,21H,6-9H2,1H3/t11-,14+/m1/s1
InChIKeyPHGPQYDDBHUXLR-RISCZKNCSA-N
XLogP1.88
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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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
(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
(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
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
(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
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
(6R)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95344650
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc2n(n1)C[C@H](NC[C@H](O)c1ccccc1Cl)CC2.
What is the InChIKey of (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?
The InChIKey is PHGPQYDDBHUXLR-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-18-15-7-6-11(9-20(15)19-10)17-8-14(21)12-4-2-3-5-13(12)16/h2-5,11,14,17,21H,6-9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 306.80 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95979079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).