4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine

C18H24N4O2 — CID 74244596

IUPAC4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCOCC1(c2nc(C3CCOCC3)nn2-c2ccncc2C)CC1
InChIInChI=1S/C18H24N4O2/c1-13-11-19-8-3-15(13)22-17(18(6-7-18)12-23-2)20-16(21-22)14-4-9-24-10-5-14/h3,8,11,14H,4-7,9-10,12H2,1-2H3
InChIKeyPAAJCTHFLQJXJR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.54
Rot. Bonds5

About 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine

4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine (PubChem CID 74244596) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine
PubChem CID74244596
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine
SMILESCOCC1(c2nc(C3CCOCC3)nn2-c2ccncc2C)CC1
InChIInChI=1S/C18H24N4O2/c1-13-11-19-8-3-15(13)22-17(18(6-7-18)12-23-2)20-16(21-22)14-4-9-24-10-5-14/h3,8,11,14H,4-7,9-10,12H2,1-2H3
InChIKeyPAAJCTHFLQJXJR-UHFFFAOYSA-N
XLogP2.54
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine?
The IUPAC name of 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine (CID 74244596) is 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine.
What is the SMILES notation for 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine?
The canonical SMILES for 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine is COCC1(c2nc(C3CCOCC3)nn2-c2ccncc2C)CC1.
What is the InChIKey of 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine?
The InChIKey is PAAJCTHFLQJXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-19-8-3-15(13)22-17(18(6-7-18)12-23-2)20-16(21-22)14-4-9-24-10-5-14/h3,8,11,14H,4-7,9-10,12H2,1-2H3.
What are the key properties of 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine?
4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine has a molecular weight of 328.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(methoxymethyl)cyclopropyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]-3-methylpyridine is sourced from PubChem (CID 74244596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).