2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine

C14H18N4O — CID 175881426

IUPAC2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
SMILESCc1nc(C2CCC(Oc3ccccn3)CC2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10-16-14(18-17-10)11-5-7-12(8-6-11)19-13-4-2-3-9-15-13/h2-4,9,11-12H,5-8H2,1H3,(H,16,17,18)
InChIKeyIKOLATYRDQIURU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine

2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine (PubChem CID 175881426) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine.

Molecular Properties

Compound Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
PubChem CID175881426
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
SMILESCc1nc(C2CCC(Oc3ccccn3)CC2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10-16-14(18-17-10)11-5-7-12(8-6-11)19-13-4-2-3-9-15-13/h2-4,9,11-12H,5-8H2,1H3,(H,16,17,18)
InChIKeyIKOLATYRDQIURU-UHFFFAOYSA-N
XLogP2.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-piperidin-4-yloxypyridine
CID 142889945
(3aR,6S,7aS)-3a-methoxy-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118785675
12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
CID 142796190
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71302121
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
3-pyridin-2-yloxycyclohexan-1-ol
CID 117051379
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772022
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
2-(4-methylcyclohexyl)oxy-4-[(2S)-2-methyl-4-pyridin-2-yloxycyclobutyl]-1,3-thiazole
CID 155420052
cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324400
2-(1-tert-butylazetidin-3-yl)oxypyridine
CID 126954855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine?
The IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine (CID 175881426) is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine.
What is the SMILES notation for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine?
The canonical SMILES for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine is Cc1nc(C2CCC(Oc3ccccn3)CC2)n[nH]1.
What is the InChIKey of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine?
The InChIKey is IKOLATYRDQIURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-16-14(18-17-10)11-5-7-12(8-6-11)19-13-4-2-3-9-15-13/h2-4,9,11-12H,5-8H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine?
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine has a molecular weight of 258.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine is sourced from PubChem (CID 175881426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).