[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol

C10H17N3O — CID 82210644

IUPAC[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)5-13-10(8(3)4)9(6-14)11-12-13/h8,14H,1,5-6H2,2-4H3
InChIKeyGKRXLKUIJYKBEG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds4

About [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol

[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 82210644) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID82210644
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)5-13-10(8(3)4)9(6-14)11-12-13/h8,14H,1,5-6H2,2-4H3
InChIKeyGKRXLKUIJYKBEG-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-benzhydryl-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 94946092
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
[1-[(4-bromophenyl)methyl]-5-propan-2-yltriazol-4-yl]methanol
CID 94943355
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
CID 82210946
[5-[2-(4-methylphenyl)ethyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210815
[1-(2-methylprop-2-enyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 82210912
[5-[(2-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210779
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210758
[1-[(4-nitrophenyl)methyl]-5-propan-2-yltriazol-4-yl]methanol
CID 82204131
(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol
CID 82204486

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol (CID 82210644) is [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol is C=C(C)Cn1nnc(CO)c1C(C)C.
What is the InChIKey of [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is GKRXLKUIJYKBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)5-13-10(8(3)4)9(6-14)11-12-13/h8,14H,1,5-6H2,2-4H3.
What are the key properties of [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 195.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82210644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).