3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole

C12H19N3O — CID 103164427

IUPAC3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-16-10-5-8(6-10)7-11-13-12(15-14-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyFGMDITLPDIVGBB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds5

About 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole

3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole (PubChem CID 103164427) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
PubChem CID103164427
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
SMILESCCOC1CC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-16-10-5-8(6-10)7-11-13-12(15-14-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyFGMDITLPDIVGBB-UHFFFAOYSA-N
XLogP2.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(1-methylcyclopropyl)ethyl]-3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 97923281
3-(oxan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 53788209
3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
CID 118564349
3-cyclopropyl-5-(4-methoxycyclohexyl)-1H-1,2,4-triazole
CID 50972198
3-cyclopropyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 61337332
3-cyclopentyl-5-(oxolan-2-yl)-1H-1,2,4-triazole
CID 61338320
5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 62906575
3-(oxan-4-yl)-5-propyl-1H-1,2,4-triazole
CID 62906576
3-cyclopropyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906734
5-methyl-3-(oxan-3-yl)-1H-1,2,4-triazole
CID 63015437
5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole
CID 63015438
5-(oxan-3-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 63015616

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole (CID 103164427) is 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole is CCOC1CC(Cc2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
The InChIKey is FGMDITLPDIVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-10-5-8(6-10)7-11-13-12(15-14-11)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole has a molecular weight of 221.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 103164427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).