2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol

C7H14N4O — CID 66165891

IUPAC2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1c(C)nnc1C(O)CN
InChIInChI=1S/C7H14N4O/c1-3-11-5(2)9-10-7(11)6(12)4-8/h6,12H,3-4,8H2,1-2H3
InChIKeyWSECLRFMINBUDD-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.40
Rot. Bonds3

About 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol

2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 66165891) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID66165891
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1c(C)nnc1C(O)CN
InChIInChI=1S/C7H14N4O/c1-3-11-5(2)9-10-7(11)6(12)4-8/h6,12H,3-4,8H2,1-2H3
InChIKeyWSECLRFMINBUDD-UHFFFAOYSA-N
XLogP-0.40
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
(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
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645795
[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396610
[5-(2-Fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130561800
[5-(1,1-Difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 130605197
(1S)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol
CID 130856121
1-(4,5-Dimethyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroethanol
CID 131123739
1-[(1,5-dimethyl-1H-1,2,4-triazol-3-yl)amino]-3-fluoropropan-2-ol
CID 165604756

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol (CID 66165891) is 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol is CCn1c(C)nnc1C(O)CN.
What is the InChIKey of 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is WSECLRFMINBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-11-5(2)9-10-7(11)6(12)4-8/h6,12H,3-4,8H2,1-2H3.
What are the key properties of 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol?
2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 170.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 66165891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).