3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole

C13H19N5O — CID 86793083

IUPAC3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole
SMILESCCOC(C)c1nccn1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-3-19-9(2)13-14-6-7-18(13)8-11-15-12(17-16-11)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyOZBVOZPFDLVUHV-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.02
Rot. Bonds6

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

3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole (PubChem CID 86793083) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole
PubChem CID86793083
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole
SMILESCCOC(C)c1nccn1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-3-19-9(2)13-14-6-7-18(13)8-11-15-12(17-16-11)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyOZBVOZPFDLVUHV-UHFFFAOYSA-N
XLogP2.02
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872794
4-(2-methylimidazol-1-yl)-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872806
4-(1H-imidazol-2-ylmethyl)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928050
4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928074
4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928118
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-(1H-imidazol-2-ylmethyl)morpholine
CID 72122548
5-[1-(1H-imidazol-1-ylmethyl)cyclopropyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74232243
3-cyclopropyl-5-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-1H-1,2,4-triazole
CID 97881590
3-[1-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]-4-(2-methoxyethyl)-4H-1,2,4-triazole
CID 56900240
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 72123284
3-[imidazol-1-yl-[(2S)-oxetan-2-yl]methyl]-5-methyl-1H-1,2,4-triazole
CID 169090811
5-[2-[1-(2-methoxyethyl)imidazol-2-yl]ethyl]-1H-1,2,4-triazole
CID 173073541

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole (CID 86793083) is 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole is CCOC(C)c1nccn1Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole?
The InChIKey is OZBVOZPFDLVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-19-9(2)13-14-6-7-18(13)8-11-15-12(17-16-11)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole has a molecular weight of 261.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 86793083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).