2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone

C10H17N5O2 — CID 62119197

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCn1cnnc1CNCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-14-8-12-13-9(14)6-11-7-10(16)15-2-4-17-5-3-15/h8,11H,2-7H2,1H3
InChIKeyNUSNUMZXIQCBAO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.24
Rot. Bonds4

About 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone

2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone (PubChem CID 62119197) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone
PubChem CID62119197
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCn1cnnc1CNCC(=O)N1CCOCC1
InChIInChI=1S/C10H17N5O2/c1-14-8-12-13-9(14)6-11-7-10(16)15-2-4-17-5-3-15/h8,11H,2-7H2,1H3
InChIKeyNUSNUMZXIQCBAO-UHFFFAOYSA-N
XLogP-1.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone (CID 62119197) is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone is Cn1cnnc1CNCC(=O)N1CCOCC1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone?
The InChIKey is NUSNUMZXIQCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-8-12-13-9(14)6-11-7-10(16)15-2-4-17-5-3-15/h8,11H,2-7H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone?
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone has a molecular weight of 239.28 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 62119197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).