tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate

C16H27N5O3 — CID 126835309

IUPACtert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate
SMILESCC1C(C)N(C(=O)c2cn(C)nn2)C(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N5O3/c1-10-8-20(15(23)24-16(4,5)6)11(2)12(3)21(10)14(22)13-9-19(7)18-17-13/h9-12H,8H2,1-7H3
InChIKeyAVWTYTNDNBJTBZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate

tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 126835309) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID126835309
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Nametert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate
SMILESCC1C(C)N(C(=O)c2cn(C)nn2)C(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N5O3/c1-10-8-20(15(23)24-16(4,5)6)11(2)12(3)21(10)14(22)13-9-19(7)18-17-13/h9-12H,8H2,1-7H3
InChIKeyAVWTYTNDNBJTBZ-UHFFFAOYSA-N
XLogP1.67
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate (CID 126835309) is tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate is CC1C(C)N(C(=O)c2cn(C)nn2)C(C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is AVWTYTNDNBJTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-10-8-20(15(23)24-16(4,5)6)11(2)12(3)21(10)14(22)13-9-19(7)18-17-13/h9-12H,8H2,1-7H3.
What are the key properties of tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate?
tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 126835309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).