2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol

C16H22N4O2 — CID 75474492

IUPAC2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol
SMILESCOc1cccc(CN2CC(n3cc(C(C)(C)O)nn3)C2)c1
InChIInChI=1S/C16H22N4O2/c1-16(2,21)15-11-20(18-17-15)13-9-19(10-13)8-12-5-4-6-14(7-12)22-3/h4-7,11,13,21H,8-10H2,1-3H3
InChIKeyIXVGOYVHKWJFTN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol

2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol (PubChem CID 75474492) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol
PubChem CID75474492
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol
SMILESCOc1cccc(CN2CC(n3cc(C(C)(C)O)nn3)C2)c1
InChIInChI=1S/C16H22N4O2/c1-16(2,21)15-11-20(18-17-15)13-9-19(10-13)8-12-5-4-6-14(7-12)22-3/h4-7,11,13,21H,8-10H2,1-3H3
InChIKeyIXVGOYVHKWJFTN-UHFFFAOYSA-N
XLogP1.57
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol (CID 75474492) is 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol is COc1cccc(CN2CC(n3cc(C(C)(C)O)nn3)C2)c1.
What is the InChIKey of 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol?
The InChIKey is IXVGOYVHKWJFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,21)15-11-20(18-17-15)13-9-19(10-13)8-12-5-4-6-14(7-12)22-3/h4-7,11,13,21H,8-10H2,1-3H3.
What are the key properties of 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 75474492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).