2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine

C20H18N6O2 — CID 44577938

IUPAC2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine
SMILESCOCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H18N6O2/c1-27-13-18-24-25-20(26(18)15-8-9-19(28-2)23-10-15)17-12-21-16(11-22-17)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyCEKVKDRXUDAAKU-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.94
Rot. Bonds6

About 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine

2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine (PubChem CID 44577938) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine
PubChem CID44577938
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine
SMILESCOCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1
InChIInChI=1S/C20H18N6O2/c1-27-13-18-24-25-20(26(18)15-8-9-19(28-2)23-10-15)17-12-21-16(11-22-17)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyCEKVKDRXUDAAKU-UHFFFAOYSA-N
XLogP2.94
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

E-2212
CID 46854987
(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane
CID 135192983
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
2-(2-chloro-3-fluorophenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11848692
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
CID 164621280
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine?
The IUPAC name of 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine (CID 44577938) is 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine.
What is the SMILES notation for 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine?
The canonical SMILES for 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine is COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1.
What is the InChIKey of 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine?
The InChIKey is CEKVKDRXUDAAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-13-18-24-25-20(26(18)15-8-9-19(28-2)23-10-15)17-12-21-16(11-22-17)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine?
2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine has a molecular weight of 374.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-5-phenylpyrazine is sourced from PubChem (CID 44577938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).