2-(4-prop-1-en-2-yltriazol-1-yl)ethanol

C7H11N3O — CID 90920714

IUPAC2-(4-prop-1-en-2-yltriazol-1-yl)ethanol
SMILESC=C(C)c1cn(CCO)nn1
InChIInChI=1S/C7H11N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5,11H,1,3-4H2,2H3
InChIKeyOSLVNLHPAOUUGJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.30
Rot. Bonds3

About 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol

2-(4-prop-1-en-2-yltriazol-1-yl)ethanol (PubChem CID 90920714) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-prop-1-en-2-yltriazol-1-yl)ethanol
PubChem CID90920714
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-(4-prop-1-en-2-yltriazol-1-yl)ethanol
SMILESC=C(C)c1cn(CCO)nn1
InChIInChI=1S/C7H11N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5,11H,1,3-4H2,2H3
InChIKeyOSLVNLHPAOUUGJ-UHFFFAOYSA-N
XLogP0.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Difluoro-2-(4-propan-2-yltriazol-1-yl)ethanol
CID 176643557
2-(5-Ethenyltriazol-1-yl)ethanol
CID 101486882
2-(4-ethyl-1H-1,2,3-triazol-1-yl)-2,2-difluoroethan-1-ol
CID 165463282
2-(4-(2-Aminopropan-2-yl)-1H-1,2,3-triazol-1-yl)ethan-1-ol
CID 64005897
2-(4-Ethyltriazol-1-yl)ethanol
CID 66634570
2-(4-Methyltriazol-1-yl)ethanol
CID 66634666
2-(2-(5-(prop-1-en-2-yl)-1H-1,2,3-triazol-1-yl)ethoxy)ethanol
CID 66745174
2-[4-[2-(Dimethylamino)ethyl]triazol-1-yl]ethanol
CID 68390613
2-(4-Propyltriazol-1-yl)ethanol
CID 68390939
2-(5-Propan-2-yltriazol-1-yl)ethanol
CID 82222464
1-Ethyl-4-prop-1-en-2-yltriazole
CID 91564844
2-(4-Ethenyl-3-methyltriazol-1-ium-1-yl)ethanol
CID 102131861

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol?
The IUPAC name of 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol (CID 90920714) is 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol is C=C(C)c1cn(CCO)nn1.
What is the InChIKey of 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol?
The InChIKey is OSLVNLHPAOUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(2)7-5-10(3-4-11)9-8-7/h5,11H,1,3-4H2,2H3.
What are the key properties of 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol?
2-(4-prop-1-en-2-yltriazol-1-yl)ethanol has a molecular weight of 153.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 90920714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).