2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine

C20H29N5O3 — CID 154936316

IUPAC2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
SMILESCc1nc(-c2nnn(C)c2COC2CCCCO2)cnc1OC1CCCCC1
InChIInChI=1S/C20H29N5O3/c1-14-20(28-15-8-4-3-5-9-15)21-12-16(22-14)19-17(25(2)24-23-19)13-27-18-10-6-7-11-26-18/h12,15,18H,3-11,13H2,1-2H3
InChIKeyCNWYSYMNXZBQGX-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.34
Rot. Bonds6

About 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine

2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine (PubChem CID 154936316) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
PubChem CID154936316
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
SMILESCc1nc(-c2nnn(C)c2COC2CCCCO2)cnc1OC1CCCCC1
InChIInChI=1S/C20H29N5O3/c1-14-20(28-15-8-4-3-5-9-15)21-12-16(22-14)19-17(25(2)24-23-19)13-27-18-10-6-7-11-26-18/h12,15,18H,3-11,13H2,1-2H3
InChIKeyCNWYSYMNXZBQGX-UHFFFAOYSA-N
XLogP3.34
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
CID 168931729
methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 175234506
2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
CID 175906941
3-[4-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155123427
[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
CID 175538273
ethyl (1S,2R,5R)-2-[[6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 164831227
methyl 2-[5-[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-3-yl]acetate
CID 166105611
[5-[5-[(1S,3S)-3-(2-diazoacetyl)cyclopentyl]oxy-6-methylpyrazin-2-yl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
CID 156900175
trans-(1S,3S)-3-[3-methyl-5-[1-methyl-5-[[[(2S)-2-methylbutoxy]carbonylamino]methyl]triazol-4-yl]pyrazin-2-yl]oxycyclohexane-1-carboxylic acid
CID 138719088
methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 154936020

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine?
The IUPAC name of 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine (CID 154936316) is 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine.
What is the SMILES notation for 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine?
The canonical SMILES for 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine is Cc1nc(-c2nnn(C)c2COC2CCCCO2)cnc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine?
The InChIKey is CNWYSYMNXZBQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-20(28-15-8-4-3-5-9-15)21-12-16(22-14)19-17(25(2)24-23-19)13-27-18-10-6-7-11-26-18/h12,15,18H,3-11,13H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine?
2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine has a molecular weight of 387.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine is sourced from PubChem (CID 154936316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).