4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine

C14H17N7O — CID 131948549

IUPAC4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine
SMILESCOCc1nc(CCCn2cncn2)n(-c2ccncc2)n1
InChIInChI=1S/C14H17N7O/c1-22-9-13-18-14(3-2-8-20-11-16-10-17-20)21(19-13)12-4-6-15-7-5-12/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyRRJXVAWMWQEGLF-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.03
Rot. Bonds7

About 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine

4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 131948549) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID131948549
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine
SMILESCOCc1nc(CCCn2cncn2)n(-c2ccncc2)n1
InChIInChI=1S/C14H17N7O/c1-22-9-13-18-14(3-2-8-20-11-16-10-17-20)21(19-13)12-4-6-15-7-5-12/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyRRJXVAWMWQEGLF-UHFFFAOYSA-N
XLogP1.03
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine (CID 131948549) is 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine is COCc1nc(CCCn2cncn2)n(-c2ccncc2)n1.
What is the InChIKey of 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is RRJXVAWMWQEGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-22-9-13-18-14(3-2-8-20-11-16-10-17-20)21(19-13)12-4-6-15-7-5-12/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine?
4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 299.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-5-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 131948549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).