(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol

C14H20N4O2 — CID 72837609

IUPAC(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
SMILESCOc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)cn1
InChIInChI=1S/C14H20N4O2/c1-10(2)6-12(9-19)18-8-13(16-17-18)11-4-5-14(20-3)15-7-11/h4-5,7-8,10,12,19H,6,9H2,1-3H3/t12-/m0/s1
InChIKeyBUMALUZXLTVEHM-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds6

About (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol

(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol (PubChem CID 72837609) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
PubChem CID72837609
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol
SMILESCOc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)cn1
InChIInChI=1S/C14H20N4O2/c1-10(2)6-12(9-19)18-8-13(16-17-18)11-4-5-14(20-3)15-7-11/h4-5,7-8,10,12,19H,6,9H2,1-3H3/t12-/m0/s1
InChIKeyBUMALUZXLTVEHM-LBPRGKRZSA-N
XLogP1.93
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol (CID 72837609) is (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol is COc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)cn1.
What is the InChIKey of (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
The InChIKey is BUMALUZXLTVEHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)6-12(9-19)18-8-13(16-17-18)11-4-5-14(20-3)15-7-11/h4-5,7-8,10,12,19H,6,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol?
(2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-4-methylpentan-1-ol is sourced from PubChem (CID 72837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).