N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C15H14N4O — CID 3631677

IUPACN-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc2ccccc12
InChIInChI=1S/C15H14N4O/c20-15(9-19-11-16-10-18-19)17-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11H,8-9H2,(H,17,20)
InChIKeyHQQMIADGFMUWFQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 3631677) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID3631677
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc2ccccc12
InChIInChI=1S/C15H14N4O/c20-15(9-19-11-16-10-18-19)17-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11H,8-9H2,(H,17,20)
InChIKeyHQQMIADGFMUWFQ-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 3631677) is N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HQQMIADGFMUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(9-19-11-16-10-18-19)17-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11H,8-9H2,(H,17,20).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 3631677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).