2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C13H17N5O — CID 67055603

IUPAC2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCOc1ccc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C13H17N5O/c1-19-11-3-2-10(8-15-11)13-16-12(17-18-13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,16,17,18)
InChIKeyVNQNHUXDPONBQY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.34
Rot. Bonds3

About 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 67055603) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID67055603
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCOc1ccc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C13H17N5O/c1-19-11-3-2-10(8-15-11)13-16-12(17-18-13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,16,17,18)
InChIKeyVNQNHUXDPONBQY-UHFFFAOYSA-N
XLogP1.34
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
CID 67028379
3-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487005
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67027843
4-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-1-[(6-methoxy-3-pyridinyl)methyl]azepane
CID 138385275
3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 82569112
4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
CID 136699736
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 67055603) is 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is COc1ccc(-c2n[nH]c(C3CCNCC3)n2)cn1.
What is the InChIKey of 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is VNQNHUXDPONBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-11-3-2-10(8-15-11)13-16-12(17-18-13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,16,17,18).
What are the key properties of 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 259.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 67055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).