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

C10H17N5O2 — CID 47253001

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-2-14-8-12-13-9(14)7-11-10(16)15-3-5-17-6-4-15/h8H,2-7H2,1H3,(H,11,16)
InChIKeyACPUIHXLBUXKIL-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.16
Rot. Bonds3

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 47253001) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID47253001
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-2-14-8-12-13-9(14)7-11-10(16)15-3-5-17-6-4-15/h8H,2-7H2,1H3,(H,11,16)
InChIKeyACPUIHXLBUXKIL-UHFFFAOYSA-N
XLogP-0.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 47253001) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is CCn1cnnc1CNC(=O)N1CCOCC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is ACPUIHXLBUXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-14-8-12-13-9(14)7-11-10(16)15-3-5-17-6-4-15/h8H,2-7H2,1H3,(H,11,16).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 47253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).