2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol

C12H15N5O2 — CID 164638051

IUPAC2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1CN1CCOC[C@H]1c1ncn[nH]1
InChIInChI=1S/C12H15N5O2/c18-11-2-1-3-13-9(11)6-17-4-5-19-7-10(17)12-14-8-15-16-12/h1-3,8,10,18H,4-7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyIBVLXARSBHWPPR-JTQLQIEISA-N
MW261.28 g/mol
LogP0.48
Rot. Bonds3

About 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol

2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol (PubChem CID 164638051) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol
PubChem CID164638051
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1CN1CCOC[C@H]1c1ncn[nH]1
InChIInChI=1S/C12H15N5O2/c18-11-2-1-3-13-9(11)6-17-4-5-19-7-10(17)12-14-8-15-16-12/h1-3,8,10,18H,4-7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyIBVLXARSBHWPPR-JTQLQIEISA-N
XLogP0.48
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol (CID 164638051) is 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol is Oc1cccnc1CN1CCOC[C@H]1c1ncn[nH]1.
What is the InChIKey of 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol?
The InChIKey is IBVLXARSBHWPPR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O2/c18-11-2-1-3-13-9(11)6-17-4-5-19-7-10(17)12-14-8-15-16-12/h1-3,8,10,18H,4-7H2,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol?
2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol has a molecular weight of 261.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 164638051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).