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

C12H19N3O — CID 103167587

IUPAC4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C2CC2)C1
InChIInChI=1S/C12H19N3O/c1-2-16-11-5-9(6-11)7-12-14-13-8-15(12)10-3-4-10/h8-11H,2-7H2,1H3
InChIKeyDONRCXMDWBDECH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

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

4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole (PubChem CID 103167587) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
PubChem CID103167587
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2C2CC2)C1
InChIInChI=1S/C12H19N3O/c1-2-16-11-5-9(6-11)7-12-14-13-8-15(12)10-3-4-10/h8-11H,2-7H2,1H3
InChIKeyDONRCXMDWBDECH-UHFFFAOYSA-N
XLogP1.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65617411
[4-Cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167569
3-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 103167582
3-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 103167583
3-[(3-Ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
CID 103167585
4-Tert-butyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole
CID 103167589
3-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
CID 103167591
3-[(3-Ethoxycyclobutyl)methyl]-4-propyl-1,2,4-triazole
CID 103167593
3-[(3-Ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole
CID 103167595
3-[(3-Ethoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 103167597
3-(Chloromethyl)-5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2,4-triazole
CID 103167601
3-(Chloromethyl)-5-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
CID 103167605

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole (CID 103167587) is 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole is CCOC1CC(Cc2nncn2C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
The InChIKey is DONRCXMDWBDECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-11-5-9(6-11)7-12-14-13-8-15(12)10-3-4-10/h8-11H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole?
4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 103167587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).