[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol

C14H18N4O2 — CID 172550795

IUPAC[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol
SMILESCn1nc(-c2cncc(CO)c2)nc1C1CCOCC1
InChIInChI=1S/C14H18N4O2/c1-18-14(11-2-4-20-5-3-11)16-13(17-18)12-6-10(9-19)7-15-8-12/h6-8,11,19H,2-5,9H2,1H3
InChIKeyRONRPJUICNMXOL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.26
Rot. Bonds3

About [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol

[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol (PubChem CID 172550795) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol
PubChem CID172550795
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol
SMILESCn1nc(-c2cncc(CO)c2)nc1C1CCOCC1
InChIInChI=1S/C14H18N4O2/c1-18-14(11-2-4-20-5-3-11)16-13(17-18)12-6-10(9-19)7-15-8-12/h6-8,11,19H,2-5,9H2,1H3
InChIKeyRONRPJUICNMXOL-UHFFFAOYSA-N
XLogP1.26
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol (CID 172550795) is [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol is Cn1nc(-c2cncc(CO)c2)nc1C1CCOCC1.
What is the InChIKey of [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol?
The InChIKey is RONRPJUICNMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-14(11-2-4-20-5-3-11)16-13(17-18)12-6-10(9-19)7-15-8-12/h6-8,11,19H,2-5,9H2,1H3.
What are the key properties of [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol?
[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 172550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).