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

C10H19N3O2 — CID 103022871

IUPAC[4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC(C)(C)OC
InChIInChI=1S/C10H19N3O2/c1-5-13-8(6-10(2,3)15-4)11-12-9(13)7-14/h14H,5-7H2,1-4H3
InChIKeyKUGCJCTUCREODE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.76
Rot. Bonds5

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

[4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103022871) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103022871
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC(C)(C)OC
InChIInChI=1S/C10H19N3O2/c1-5-13-8(6-10(2,3)15-4)11-12-9(13)7-14/h14H,5-7H2,1-4H3
InChIKeyKUGCJCTUCREODE-UHFFFAOYSA-N
XLogP0.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.76
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 [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 103022871) is [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1CC(C)(C)OC.
What is the InChIKey of [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is KUGCJCTUCREODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-13-8(6-10(2,3)15-4)11-12-9(13)7-14/h14H,5-7H2,1-4H3.
What are the key properties of [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).