4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine

C19H18N8O — CID 50983821

IUPAC4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCc1cnccc1-n1nc(C2CC2)nc1COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H18N8O/c1-13-10-20-8-7-17(13)27-18(22-19(23-27)14-5-6-14)11-28-16-4-2-3-15(9-16)26-12-21-24-25-26/h2-4,7-10,12,14H,5-6,11H2,1H3
InChIKeySWGSYYDHOCCTEE-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.40
Rot. Bonds6

About 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine

4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine (PubChem CID 50983821) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine
PubChem CID50983821
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCc1cnccc1-n1nc(C2CC2)nc1COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H18N8O/c1-13-10-20-8-7-17(13)27-18(22-19(23-27)14-5-6-14)11-28-16-4-2-3-15(9-16)26-12-21-24-25-26/h2-4,7-10,12,14H,5-6,11H2,1H3
InChIKeySWGSYYDHOCCTEE-UHFFFAOYSA-N
XLogP2.40
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine?
The IUPAC name of 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine (CID 50983821) is 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine.
What is the SMILES notation for 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine?
The canonical SMILES for 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine is Cc1cnccc1-n1nc(C2CC2)nc1COc1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine?
The InChIKey is SWGSYYDHOCCTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-13-10-20-8-7-17(13)27-18(22-19(23-27)14-5-6-14)11-28-16-4-2-3-15(9-16)26-12-21-24-25-26/h2-4,7-10,12,14H,5-6,11H2,1H3.
What are the key properties of 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine?
4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine has a molecular weight of 374.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,2,4-triazol-1-yl]-3-methylpyridine is sourced from PubChem (CID 50983821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).