[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol

C12H15N3O2 — CID 117156248

IUPAC[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
SMILESCc1ccc(-c2nc3n(n2)CCC(CO)C3)o1
InChIInChI=1S/C12H15N3O2/c1-8-2-3-10(17-8)12-13-11-6-9(7-16)4-5-15(11)14-12/h2-3,9,16H,4-7H2,1H3
InChIKeyPEUUMWDJDLVRPI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.40
Rot. Bonds2

About [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol

[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol (PubChem CID 117156248) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
PubChem CID117156248
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
SMILESCc1ccc(-c2nc3n(n2)CCC(CO)C3)o1
InChIInChI=1S/C12H15N3O2/c1-8-2-3-10(17-8)12-13-11-6-9(7-16)4-5-15(11)14-12/h2-3,9,16H,4-7H2,1H3
InChIKeyPEUUMWDJDLVRPI-UHFFFAOYSA-N
XLogP1.40
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol with MolForge

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Related Compounds

(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156317
2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117158060
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156323
[2-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156369
[2-(3-methoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156094
[2-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156174
[2-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156188
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 83815358
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-6-ylmethanol
CID 175613001
2-(furan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156043

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol (CID 117156248) is [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol is Cc1ccc(-c2nc3n(n2)CCC(CO)C3)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The InChIKey is PEUUMWDJDLVRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-2-3-10(17-8)12-13-11-6-9(7-16)4-5-15(11)14-12/h2-3,9,16H,4-7H2,1H3.
What are the key properties of [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117156248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).