(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H21FN4 — CID 99824558

IUPAC(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@H](N[C@@H](C)Cc1ccccc1F)CC2
InChIInChI=1S/C16H21FN4/c1-11(9-13-5-3-4-6-15(13)17)18-14-7-8-16-19-12(2)20-21(16)10-14/h3-6,11,14,18H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyJIOUUMKEPILJSQ-SMDDNHRTSA-N
MW288.37 g/mol
LogP2.26
Rot. Bonds4

About (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 99824558) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID99824558
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@H](N[C@@H](C)Cc1ccccc1F)CC2
InChIInChI=1S/C16H21FN4/c1-11(9-13-5-3-4-6-15(13)17)18-14-7-8-16-19-12(2)20-21(16)10-14/h3-6,11,14,18H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyJIOUUMKEPILJSQ-SMDDNHRTSA-N
XLogP2.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
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CID 115616214
N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide
CID 127312072
(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 95312243
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95758088
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95313587
(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
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
1-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 100729530
2-methyl-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(naphthalen-1-ylmethyl)guanidine
CID 111978280
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153617

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 99824558) is (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1nc2n(n1)C[C@H](N[C@@H](C)Cc1ccccc1F)CC2.
What is the InChIKey of (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is JIOUUMKEPILJSQ-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H21FN4/c1-11(9-13-5-3-4-6-15(13)17)18-14-7-8-16-19-12(2)20-21(16)10-14/h3-6,11,14,18H,7-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 288.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 99824558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).