4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide

C16H27N5O2 — CID 167858056

IUPAC4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide
SMILESCc1nnc(CCNC(=O)C2COCCN2CC2CCC2)n1C
InChIInChI=1S/C16H27N5O2/c1-12-18-19-15(20(12)2)6-7-17-16(22)14-11-23-9-8-21(14)10-13-4-3-5-13/h13-14H,3-11H2,1-2H3,(H,17,22)
InChIKeyQAJIWYPDZXMVAS-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.28
Rot. Bonds6

About 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide

4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide (PubChem CID 167858056) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide
PubChem CID167858056
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide
SMILESCc1nnc(CCNC(=O)C2COCCN2CC2CCC2)n1C
InChIInChI=1S/C16H27N5O2/c1-12-18-19-15(20(12)2)6-7-17-16(22)14-11-23-9-8-21(14)10-13-4-3-5-13/h13-14H,3-11H2,1-2H3,(H,17,22)
InChIKeyQAJIWYPDZXMVAS-UHFFFAOYSA-N
XLogP0.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide (CID 167858056) is 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide is Cc1nnc(CCNC(=O)C2COCCN2CC2CCC2)n1C.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is QAJIWYPDZXMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-18-19-15(20(12)2)6-7-17-16(22)14-11-23-9-8-21(14)10-13-4-3-5-13/h13-14H,3-11H2,1-2H3,(H,17,22).
What are the key properties of 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide?
4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 167858056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).