2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine

C22H16N6O — CID 126475240

IUPAC2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine
SMILESc1ccc2cc(OCc3ccc(-c4nccnc4-c4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C22H16N6O/c1-2-4-18-13-19(10-9-16(18)3-1)29-14-15-5-7-17(8-6-15)20-21(24-12-11-23-20)22-25-27-28-26-22/h1-13H,14H2,(H,25,26,27,28)
InChIKeyRTWDGTYJFCPCFR-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine

2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine (PubChem CID 126475240) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine.

Molecular Properties

Compound Name2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine
PubChem CID126475240
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine
SMILESc1ccc2cc(OCc3ccc(-c4nccnc4-c4nn[nH]n4)cc3)ccc2c1
InChIInChI=1S/C22H16N6O/c1-2-4-18-13-19(10-9-16(18)3-1)29-14-15-5-7-17(8-6-15)20-21(24-12-11-23-20)22-25-27-28-26-22/h1-13H,14H2,(H,25,26,27,28)
InChIKeyRTWDGTYJFCPCFR-UHFFFAOYSA-N
XLogP4.06
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-4-(2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 9887844
2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridine
CID 14950495
2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950501
2,6-Dimethyl-3-phenyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridine
CID 14950505
3-benzyl-2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 15171393
3-(1-(4-(2-([1,1'-biphenyl]-2-yloxy)ethyl)benzyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 86305277
3-[1-[2-[4-[(2-Phenylphenoxy)methyl]phenyl]ethyl]triazol-4-yl]pyridine
CID 86305278
2,6-dimethyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950506
2-[2-[3-(2-Phenylmethoxyphenyl)phenyl]tetrazol-5-yl]pyridine
CID 44395453
2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-1,5-naphthyridine
CID 53320976
3-[1-[3-[4-(2-Phenylphenoxy)phenyl]propyl]triazol-4-yl]pyridine
CID 117679581
4-[2''-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline
CID 9979266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine?
The IUPAC name of 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine (CID 126475240) is 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine.
What is the SMILES notation for 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine?
The canonical SMILES for 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine is c1ccc2cc(OCc3ccc(-c4nccnc4-c4nn[nH]n4)cc3)ccc2c1.
What is the InChIKey of 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine?
The InChIKey is RTWDGTYJFCPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-2-4-18-13-19(10-9-16(18)3-1)29-14-15-5-7-17(8-6-15)20-21(24-12-11-23-20)22-25-27-28-26-22/h1-13H,14H2,(H,25,26,27,28).
What are the key properties of 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine?
2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine has a molecular weight of 380.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine is sourced from PubChem (CID 126475240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).