[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol

C11H19N3O2 — CID 103022867

IUPAC[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C1CC1
InChIInChI=1S/C11H19N3O2/c1-11(2,16-3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3
InChIKeyQPKCRZCEPZJYLF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds5

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

[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103022867) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103022867
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C1CC1
InChIInChI=1S/C11H19N3O2/c1-11(2,16-3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3
InChIKeyQPKCRZCEPZJYLF-UHFFFAOYSA-N
XLogP1.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72886104
[4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213632
[4-Cyclopropyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213634
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 113789052
[4-Cyclopropyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 113789053
[4-Cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 115396304
[4-Cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 130561798
[4-Cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 130695852
[4-Ethyl-5-(2-fluoro-1-methylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 130952079
[4-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 90815098

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 103022867) is [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is COC(C)(C)Cc1nnc(CO)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is QPKCRZCEPZJYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,16-3)6-9-12-13-10(7-15)14(9)8-4-5-8/h8,15H,4-7H2,1-3H3.
What are the key properties of [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).