[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

C13H21N3O2 — CID 103167569

IUPAC[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C13H21N3O2/c1-2-18-11-5-9(6-11)7-12-14-15-13(8-17)16(12)10-3-4-10/h9-11,17H,2-8H2,1H3
InChIKeyKDNHMAMMRKYOFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds6

About [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103167569) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103167569
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCOC1CC(Cc2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C13H21N3O2/c1-2-18-11-5-9(6-11)7-12-14-15-13(8-17)16(12)10-3-4-10/h9-11,17H,2-8H2,1H3
InChIKeyKDNHMAMMRKYOFH-UHFFFAOYSA-N
XLogP1.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

1-[1-cyclohexyl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]ethanol
CID 74244105
(4-Cyclopropyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995597
(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol
CID 97934253
(1R)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol
CID 97934254
[5-[(3-Ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167566
[5-(Cyclobutylmethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103167567
[5-(Cyclobutylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103167568
[5-(Cyclobutylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 103167570
[4-Tert-butyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103167571
[5-[(3-Ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167573
[5-(Cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103167574
[5-(Cyclobutylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103167575

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 103167569) is [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is CCOC1CC(Cc2nnc(CO)n2C2CC2)C1.
What is the InChIKey of [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is KDNHMAMMRKYOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-11-5-9(6-11)7-12-14-15-13(8-17)16(12)10-3-4-10/h9-11,17H,2-8H2,1H3.
What are the key properties of [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).