2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one

C7H12N4O2 — CID 19390520

IUPAC2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one
SMILESCn1[nH]c(=O)nc1N1CCOCC1
InChIInChI=1S/C7H12N4O2/c1-10-7(8-6(12)9-10)11-2-4-13-5-3-11/h2-5H2,1H3,(H,9,12)
InChIKeyBKOCLGCLXMMFBP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.05
Rot. Bonds1

About 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one

2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one (PubChem CID 19390520) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one
PubChem CID19390520
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one
SMILESCn1[nH]c(=O)nc1N1CCOCC1
InChIInChI=1S/C7H12N4O2/c1-10-7(8-6(12)9-10)11-2-4-13-5-3-11/h2-5H2,1H3,(H,9,12)
InChIKeyBKOCLGCLXMMFBP-UHFFFAOYSA-N
XLogP-1.05
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one (CID 19390520) is 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one is Cn1[nH]c(=O)nc1N1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one?
The InChIKey is BKOCLGCLXMMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-10-7(8-6(12)9-10)11-2-4-13-5-3-11/h2-5H2,1H3,(H,9,12).
What are the key properties of 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one?
2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one has a molecular weight of 184.20 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 19390520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).