(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol

C15H22N4O — CID 72872927

IUPAC(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
SMILESCCc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)nc1
InChIInChI=1S/C15H22N4O/c1-4-12-5-6-14(16-8-12)15-9-19(18-17-15)13(10-20)7-11(2)3/h5-6,8-9,11,13,20H,4,7,10H2,1-3H3/t13-/m0/s1
InChIKeyRIOUHSKGZRHSMF-ZDUSSCGKSA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds6

About (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol

(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol (PubChem CID 72872927) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
PubChem CID72872927
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
SMILESCCc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)nc1
InChIInChI=1S/C15H22N4O/c1-4-12-5-6-14(16-8-12)15-9-19(18-17-15)13(10-20)7-11(2)3/h5-6,8-9,11,13,20H,4,7,10H2,1-3H3/t13-/m0/s1
InChIKeyRIOUHSKGZRHSMF-ZDUSSCGKSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol (CID 72872927) is (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol is CCc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)nc1.
What is the InChIKey of (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The InChIKey is RIOUHSKGZRHSMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-12-5-6-14(16-8-12)15-9-19(18-17-15)13(10-20)7-11(2)3/h5-6,8-9,11,13,20H,4,7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
(2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-ethyl-2-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol is sourced from PubChem (CID 72872927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).