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

C11H21N3O2 — CID 103022873

IUPAC[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)(C)OC
InChIInChI=1S/C11H21N3O2/c1-5-6-14-9(7-11(2,3)16-4)12-13-10(14)8-15/h15H,5-8H2,1-4H3
InChIKeyJJYRPSXJHKEQEX-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.15
Rot. Bonds6

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

[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103022873) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID103022873
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC(C)(C)OC
InChIInChI=1S/C11H21N3O2/c1-5-6-14-9(7-11(2,3)16-4)12-13-10(14)8-15/h15H,5-8H2,1-4H3
InChIKeyJJYRPSXJHKEQEX-UHFFFAOYSA-N
XLogP1.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(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
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103213629
[4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213630
[4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213632
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103213637
[4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213638
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103213640
[4-Propyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213641
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103213642

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 103022873) is [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1CC(C)(C)OC.
What is the InChIKey of [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JJYRPSXJHKEQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-6-14-9(7-11(2,3)16-4)12-13-10(14)8-15/h15H,5-8H2,1-4H3.
What are the key properties of [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 227.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).