3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

C18H20N8O — CID 136706846

IUPAC3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1cc(C)c(-c2nccn2[C@H](C)c2n[nH]c(=O)[nH]2)cc1Cn1cncn1
InChIInChI=1S/C18H20N8O/c1-11-6-12(2)15(7-14(11)8-25-10-19-9-21-25)17-20-4-5-26(17)13(3)16-22-18(27)24-23-16/h4-7,9-10,13H,8H2,1-3H3,(H2,22,23,24,27)/t13-/m1/s1
InChIKeyRSLIEIGLQCEAFL-CYBMUJFWSA-N
MW364.41 g/mol
LogP1.83
Rot. Bonds5

About 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136706846) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136706846
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1cc(C)c(-c2nccn2[C@H](C)c2n[nH]c(=O)[nH]2)cc1Cn1cncn1
InChIInChI=1S/C18H20N8O/c1-11-6-12(2)15(7-14(11)8-25-10-19-9-21-25)17-20-4-5-26(17)13(3)16-22-18(27)24-23-16/h4-7,9-10,13H,8H2,1-3H3,(H2,22,23,24,27)/t13-/m1/s1
InChIKeyRSLIEIGLQCEAFL-CYBMUJFWSA-N
XLogP1.83
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-propyl-4H-imidazo[4,5-d]pyrazole
CID 135890708
(4R)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95132979
(4S)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820809
5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135882188
[1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 56707020
N-ethyl-3-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3490704
methyl (2S,4R)-1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-hydroxypiperidine-2-carboxylate
CID 133114014
(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95549265
(3S)-3-(2-methylimidazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butanamide
CID 125162758
2-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isoindole-1,3-dione
CID 139645852
1-propan-2-yl-5-[1-[1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]-2,3-dihydroindole
CID 56870161
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136706846) is 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is Cc1cc(C)c(-c2nccn2[C@H](C)c2n[nH]c(=O)[nH]2)cc1Cn1cncn1.
What is the InChIKey of 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is RSLIEIGLQCEAFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11-6-12(2)15(7-14(11)8-25-10-19-9-21-25)17-20-4-5-26(17)13(3)16-22-18(27)24-23-16/h4-7,9-10,13H,8H2,1-3H3,(H2,22,23,24,27)/t13-/m1/s1.
What are the key properties of 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 364.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[2-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]imidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136706846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).