3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol

C15H15N3O — CID 134152222

IUPAC3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol
SMILESOCCCn1cc(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C15H15N3O/c19-9-3-8-18-11-15(16-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11,19H,3,8-9H2
InChIKeyYUAPIJYRMIFIEA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.48
Rot. Bonds4

About 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol

3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol (PubChem CID 134152222) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol
PubChem CID134152222
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol
SMILESOCCCn1cc(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C15H15N3O/c19-9-3-8-18-11-15(16-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11,19H,3,8-9H2
InChIKeyYUAPIJYRMIFIEA-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol (CID 134152222) is 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol is OCCCn1cc(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol?
The InChIKey is YUAPIJYRMIFIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-9-3-8-18-11-15(16-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11,19H,3,8-9H2.
What are the key properties of 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol?
3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-yltriazol-1-yl)propan-1-ol is sourced from PubChem (CID 134152222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).