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

C14H15N5O — CID 157011839

IUPAC5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
SMILESCOCc1nc(-c2ccc(-c3cn[nH]c3)cc2)nn1C
InChIInChI=1S/C14H15N5O/c1-19-13(9-20-2)17-14(18-19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyRBWLOXBBOBPVGI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.02
Rot. Bonds4

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

5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole (PubChem CID 157011839) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
PubChem CID157011839
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
SMILESCOCc1nc(-c2ccc(-c3cn[nH]c3)cc2)nn1C
InChIInChI=1S/C14H15N5O/c1-19-13(9-20-2)17-14(18-19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyRBWLOXBBOBPVGI-UHFFFAOYSA-N
XLogP2.02
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazole
CID 157016083
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
CID 157019727
5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
1-[2-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazol-3-yl]piperidine
CID 121499917
5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
CID 163341217
5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
CID 155917002
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243
3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157017885
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157013961
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole (CID 157011839) is 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole is COCc1nc(-c2ccc(-c3cn[nH]c3)cc2)nn1C.
What is the InChIKey of 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole?
The InChIKey is RBWLOXBBOBPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-13(9-20-2)17-14(18-19)11-5-3-10(4-6-11)12-7-15-16-8-12/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole?
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 157011839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).