(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C16H18N6O2 — CID 70227343

IUPAC(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1nc(-c2nc3n(n2)CCC[C@@H]3O)ccc1-n1cnc(C)c1
InChIInChI=1S/C16H18N6O2/c1-10-8-21(9-17-10)12-6-5-11(18-16(12)24-2)14-19-15-13(23)4-3-7-22(15)20-14/h5-6,8-9,13,23H,3-4,7H2,1-2H3/t13-/m0/s1
InChIKeyLLHSNCODCKMVMA-ZDUSSCGKSA-N
MW326.36 g/mol
LogP1.67
Rot. Bonds3

About (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol

(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 70227343) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID70227343
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1nc(-c2nc3n(n2)CCC[C@@H]3O)ccc1-n1cnc(C)c1
InChIInChI=1S/C16H18N6O2/c1-10-8-21(9-17-10)12-6-5-11(18-16(12)24-2)14-19-15-13(23)4-3-7-22(15)20-14/h5-6,8-9,13,23H,3-4,7H2,1-2H3/t13-/m0/s1
InChIKeyLLHSNCODCKMVMA-ZDUSSCGKSA-N
XLogP1.67
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 70227343) is (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is COc1nc(-c2nc3n(n2)CCC[C@@H]3O)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is LLHSNCODCKMVMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-8-21(9-17-10)12-6-5-11(18-16(12)24-2)14-19-15-13(23)4-3-7-22(15)20-14/h5-6,8-9,13,23H,3-4,7H2,1-2H3/t13-/m0/s1.
What are the key properties of (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 326.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 70227343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).