4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole

C15H13N3 — CID 134256996

IUPAC4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole
SMILESc1ccc2c(-n3cnnc3)ccc(C3CC3)c2c1
InChIInChI=1S/C15H13N3/c1-2-4-14-13(3-1)12(11-5-6-11)7-8-15(14)18-9-16-17-10-18/h1-4,7-11H,5-6H2
InChIKeyTWBMEXAPKRUFEF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.30
Rot. Bonds2

About 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole

4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole (PubChem CID 134256996) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole
PubChem CID134256996
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole
SMILESc1ccc2c(-n3cnnc3)ccc(C3CC3)c2c1
InChIInChI=1S/C15H13N3/c1-2-4-14-13(3-1)12(11-5-6-11)7-8-15(14)18-9-16-17-10-18/h1-4,7-11H,5-6H2
InChIKeyTWBMEXAPKRUFEF-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole?
The IUPAC name of 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole (CID 134256996) is 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole?
The canonical SMILES for 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole is c1ccc2c(-n3cnnc3)ccc(C3CC3)c2c1.
What is the InChIKey of 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole?
The InChIKey is TWBMEXAPKRUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-4-14-13(3-1)12(11-5-6-11)7-8-15(14)18-9-16-17-10-18/h1-4,7-11H,5-6H2.
What are the key properties of 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole?
4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazole is sourced from PubChem (CID 134256996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).