tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate

C15H26N4O2 — CID 166986045

IUPACtert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate
SMILESCc1nc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-16-13(18-17-10)11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h11-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyURQMWNCHEUHEOH-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate

tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate (PubChem CID 166986045) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate
PubChem CID166986045
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate
SMILESCc1nc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-16-13(18-17-10)11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h11-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyURQMWNCHEUHEOH-UHFFFAOYSA-N
XLogP3.01
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate (CID 166986045) is tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate is Cc1nc(C2CCC(N(C)C(=O)OC(C)(C)C)CC2)n[nH]1.
What is the InChIKey of tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate?
The InChIKey is URQMWNCHEUHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-16-13(18-17-10)11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h11-12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate?
tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 166986045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).