4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole

C11H13N7O — CID 72858103

IUPAC4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole
SMILESCOCc1cc(Cn2cc(-c3ncc[nH]3)nn2)[nH]n1
InChIInChI=1S/C11H13N7O/c1-19-7-9-4-8(14-15-9)5-18-6-10(16-17-18)11-12-2-3-13-11/h2-4,6H,5,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyFVNIIULNDODLAY-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.59
Rot. Bonds5

About 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole

4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole (PubChem CID 72858103) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole
PubChem CID72858103
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole
SMILESCOCc1cc(Cn2cc(-c3ncc[nH]3)nn2)[nH]n1
InChIInChI=1S/C11H13N7O/c1-19-7-9-4-8(14-15-9)5-18-6-10(16-17-18)11-12-2-3-13-11/h2-4,6H,5,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyFVNIIULNDODLAY-UHFFFAOYSA-N
XLogP0.59
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72847615
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
5-fluoro-2-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135102138
3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-1,3-oxazolidine
CID 173336593
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 39741239
5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
CID 50956122
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-1H-imidazole-2-carboxamide
CID 56869578
5-Ethyl-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}pyrazolo[1,5-A]pyrimidin-7-amine
CID 70759273
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-3-(2-methyl-1H-imidazol-1-yl)butanamide
CID 118773985
2-imidazol-1-yl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide
CID 119074008
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
CID 125166525
(3R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
CID 125166526

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole (CID 72858103) is 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole is COCc1cc(Cn2cc(-c3ncc[nH]3)nn2)[nH]n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole?
The InChIKey is FVNIIULNDODLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-19-7-9-4-8(14-15-9)5-18-6-10(16-17-18)11-12-2-3-13-11/h2-4,6H,5,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole?
4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole has a molecular weight of 259.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole is sourced from PubChem (CID 72858103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).