(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol

C12H16N4O — CID 113355424

IUPAC(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(-n2nc(C)nc2C)cn1
InChIInChI=1S/C12H16N4O/c1-4-12(17)11-6-5-10(7-13-11)16-9(3)14-8(2)15-16/h5-7,12,17H,4H2,1-3H3/t12-/m0/s1
InChIKeyAIQCLIDEMQQODG-LBPRGKRZSA-N
MW232.29 g/mol
LogP1.72
Rot. Bonds3

About (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol

(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 113355424) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID113355424
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(-n2nc(C)nc2C)cn1
InChIInChI=1S/C12H16N4O/c1-4-12(17)11-6-5-10(7-13-11)16-9(3)14-8(2)15-16/h5-7,12,17H,4H2,1-3H3/t12-/m0/s1
InChIKeyAIQCLIDEMQQODG-LBPRGKRZSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-(3,5-diethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103939008
(1R)-1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103938966
1-(5-indazol-1-yl-2-pyridinyl)propan-1-ol
CID 112585519
(1R)-1-[5-(4-chloro-3-methylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103939000
1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 112585509
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
CID 113355429
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol (CID 113355424) is (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(-n2nc(C)nc2C)cn1.
What is the InChIKey of (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is AIQCLIDEMQQODG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-12(17)11-6-5-10(7-13-11)16-9(3)14-8(2)15-16/h5-7,12,17H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).