(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol

C15H23N5O — CID 131921776

IUPAC(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol
SMILESCCCCCc1nc([C@@H](N)CO)n(-c2cccc(C)n2)n1
InChIInChI=1S/C15H23N5O/c1-3-4-5-8-13-18-15(12(16)10-21)20(19-13)14-9-6-7-11(2)17-14/h6-7,9,12,21H,3-5,8,10,16H2,1-2H3/t12-/m0/s1
InChIKeyRQJJATONCOGIJY-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.70
Rot. Bonds7

About (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol

(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol (PubChem CID 131921776) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol
PubChem CID131921776
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol
SMILESCCCCCc1nc([C@@H](N)CO)n(-c2cccc(C)n2)n1
InChIInChI=1S/C15H23N5O/c1-3-4-5-8-13-18-15(12(16)10-21)20(19-13)14-9-6-7-11(2)17-14/h6-7,9,12,21H,3-5,8,10,16H2,1-2H3/t12-/m0/s1
InChIKeyRQJJATONCOGIJY-LBPRGKRZSA-N
XLogP1.70
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62722130
(2S)-2-(methylamino)-2-(6-methyl-2-pyridinyl)ethanol
CID 55277338
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
2-[5-(ethoxymethyl)-1-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 131935867
2-amino-2-(4-octylphenyl)ethanol
CID 19881300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol (CID 131921776) is (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol is CCCCCc1nc([C@@H](N)CO)n(-c2cccc(C)n2)n1.
What is the InChIKey of (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol?
The InChIKey is RQJJATONCOGIJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-5-8-13-18-15(12(16)10-21)20(19-13)14-9-6-7-11(2)17-14/h6-7,9,12,21H,3-5,8,10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol?
(2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-(6-methyl-2-pyridinyl)-5-pentyl-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 131921776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).