(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C21H24N4O — CID 95305414

IUPAC(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(C(OCCN[C@H]2CCc3ncnn3C2)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)26-14-13-22-19-11-12-20-23-16-24-25(20)15-19/h1-10,16,19,21-22H,11-15H2/t19-/m0/s1
InChIKeyOTZYOFLFNBIMMR-IBGZPJMESA-N
MW348.45 g/mol
LogP2.99
Rot. Bonds7

About (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95305414) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95305414
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESc1ccc(C(OCCN[C@H]2CCc3ncnn3C2)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)26-14-13-22-19-11-12-20-23-16-24-25(20)15-19/h1-10,16,19,21-22H,11-15H2/t19-/m0/s1
InChIKeyOTZYOFLFNBIMMR-IBGZPJMESA-N
XLogP2.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
(6R)-N-[3-(benzenesulfonyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340760
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041
(6S)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291896
(6S)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291185
1-(4-phenylpiperazin-1-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95338996
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
(6R)-N-[(1-phenyltriazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95313962
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
CID 23276329

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95305414) is (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is c1ccc(C(OCCN[C@H]2CCc3ncnn3C2)c2ccccc2)cc1.
What is the InChIKey of (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is OTZYOFLFNBIMMR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)26-14-13-22-19-11-12-20-23-16-24-25(20)15-19/h1-10,16,19,21-22H,11-15H2/t19-/m0/s1.
What are the key properties of (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 348.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2-benzhydryloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95305414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).