2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol

C13H15N3O2 — CID 126835797

IUPAC2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
SMILESOc1ccccc1OCc1cn(CC2CC2)nn1
InChIInChI=1S/C13H15N3O2/c17-12-3-1-2-4-13(12)18-9-11-8-16(15-14-11)7-10-5-6-10/h1-4,8,10,17H,5-7,9H2
InChIKeyPXRKEVXKXRJESF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds5

About 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol

2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol (PubChem CID 126835797) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
PubChem CID126835797
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
SMILESOc1ccccc1OCc1cn(CC2CC2)nn1
InChIInChI=1S/C13H15N3O2/c17-12-3-1-2-4-13(12)18-9-11-8-16(15-14-11)7-10-5-6-10/h1-4,8,10,17H,5-7,9H2
InChIKeyPXRKEVXKXRJESF-UHFFFAOYSA-N
XLogP1.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 166235389
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
1-benzyl-4-[(2-bromophenoxy)methyl]triazole
CID 132505108
1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]-4-[[2-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazole
CID 177418156
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
CID 123822821
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
1-[4-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-phenylsulfanylethanone
CID 31018722
2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
CID 126835800
4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol?
The IUPAC name of 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol (CID 126835797) is 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol is Oc1ccccc1OCc1cn(CC2CC2)nn1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol?
The InChIKey is PXRKEVXKXRJESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-3-1-2-4-13(12)18-9-11-8-16(15-14-11)7-10-5-6-10/h1-4,8,10,17H,5-7,9H2.
What are the key properties of 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol?
2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol is sourced from PubChem (CID 126835797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).