2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine

C13H10ClN5O — CID 89258514

IUPAC2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine
SMILESClc1cnc(COc2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C13H10ClN5O/c14-13-6-16-10(5-17-13)7-20-12-3-1-11(2-4-12)19-9-15-8-18-19/h1-6,8-9H,7H2
InChIKeyOJCFYYSZZQWZIG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine

2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine (PubChem CID 89258514) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine
PubChem CID89258514
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine
SMILESClc1cnc(COc2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C13H10ClN5O/c14-13-6-16-10(5-17-13)7-20-12-3-1-11(2-4-12)19-9-15-8-18-19/h1-6,8-9H,7H2
InChIKeyOJCFYYSZZQWZIG-UHFFFAOYSA-N
XLogP2.29
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine
CID 44341256
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine
CID 44341428
US10071988, Example 61
CID 130309421
2-[[1-[4-(Difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
CID 130309647
US10071988, Example 330
CID 130309649
US10071988, Example 331
CID 130309650
5-Chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-
CID 130309656
5-Chloro-2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-
CID 130309662
5-Chloro-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-
CID 130309667
US10071988, Example 333
CID 130309668
US9605007, Example 59
CID 24986243
19-Oxa-2,6,8,11,12,16,26-heptazatetracyclo[18.2.2.13,7.19,12]hexacosa-1(22),3(26),4,6,9(25),10,20,23-octaene
CID 178320536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine?
The IUPAC name of 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine (CID 89258514) is 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine is Clc1cnc(COc2ccc(-n3cncn3)cc2)cn1.
What is the InChIKey of 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine?
The InChIKey is OJCFYYSZZQWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-13-6-16-10(5-17-13)7-20-12-3-1-11(2-4-12)19-9-15-8-18-19/h1-6,8-9H,7H2.
What are the key properties of 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine?
2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine has a molecular weight of 287.71 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]pyrazine is sourced from PubChem (CID 89258514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).