1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one

C8H11N5O — CID 115773752

IUPAC1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
SMILESCn1ncnc1Cn1ccn(C)c1=O
InChIInChI=1S/C8H11N5O/c1-11-3-4-13(8(11)14)5-7-9-6-10-12(7)2/h3-4,6H,5H2,1-2H3
InChIKeyAZVCLPTXMRNRPL-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.64
Rot. Bonds2

About 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one

1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one (PubChem CID 115773752) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
PubChem CID115773752
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
SMILESCn1ncnc1Cn1ccn(C)c1=O
InChIInChI=1S/C8H11N5O/c1-11-3-4-13(8(11)14)5-7-9-6-10-12(7)2/h3-4,6H,5H2,1-2H3
InChIKeyAZVCLPTXMRNRPL-UHFFFAOYSA-N
XLogP-0.64
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
CID 116625290
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3-(3-methyl-2-oxoimidazol-1-yl)propanal
CID 80581435
1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one
CID 80581931
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
CID 116624467
1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one
CID 164654247
3-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-one
CID 114500242
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
3-bromo-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
CID 131020410
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]indole-4-carbonitrile
CID 114015832

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one (CID 115773752) is 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one is Cn1ncnc1Cn1ccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The InChIKey is AZVCLPTXMRNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-11-3-4-13(8(11)14)5-7-9-6-10-12(7)2/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one is sourced from PubChem (CID 115773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).