2-amino-1-(3-methyltriazol-4-yl)ethanol

C5H10N4O — CID 114685353

IUPAC2-amino-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)CN
InChIInChI=1S/C5H10N4O/c1-9-4(3-7-8-9)5(10)2-6/h3,5,10H,2,6H2,1H3
InChIKeyWQZNOWMSSNAFOU-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.19
Rot. Bonds2

About 2-amino-1-(3-methyltriazol-4-yl)ethanol

2-amino-1-(3-methyltriazol-4-yl)ethanol (PubChem CID 114685353) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-amino-1-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methyltriazol-4-yl)ethanol
PubChem CID114685353
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-amino-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)CN
InChIInChI=1S/C5H10N4O/c1-9-4(3-7-8-9)5(10)2-6/h3,5,10H,2,6H2,1H3
InChIKeyWQZNOWMSSNAFOU-UHFFFAOYSA-N
XLogP-1.19
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 115836004
1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
CID 105128683
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
2-amino-1-(triazolo[1,5-a]pyridin-7-yl)ethanol
CID 83874860
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)propan-1-ol
CID 114686807

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(3-methyltriazol-4-yl)ethanol (CID 114685353) is 2-amino-1-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-methyltriazol-4-yl)ethanol is Cn1nncc1C(O)CN.
What is the InChIKey of 2-amino-1-(3-methyltriazol-4-yl)ethanol?
The InChIKey is WQZNOWMSSNAFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-4(3-7-8-9)5(10)2-6/h3,5,10H,2,6H2,1H3.
What are the key properties of 2-amino-1-(3-methyltriazol-4-yl)ethanol?
2-amino-1-(3-methyltriazol-4-yl)ethanol has a molecular weight of 142.16 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 114685353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).