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

C10H17N5O2 — CID 55202676

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNCCO1
InChIInChI=1S/C10H17N5O2/c1-15-7-13-14-9(15)2-3-12-10(16)8-6-11-4-5-17-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyVWLLYIWJNVMACA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.54
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide (PubChem CID 55202676) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide
PubChem CID55202676
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)C1CNCCO1
InChIInChI=1S/C10H17N5O2/c1-15-7-13-14-9(15)2-3-12-10(16)8-6-11-4-5-17-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyVWLLYIWJNVMACA-UHFFFAOYSA-N
XLogP-1.54
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide (CID 55202676) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide is Cn1cnnc1CCNC(=O)C1CNCCO1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is VWLLYIWJNVMACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-7-13-14-9(15)2-3-12-10(16)8-6-11-4-5-17-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 55202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).