5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile

C16H12N4 — CID 82199741

IUPAC5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile
SMILESN#Cc1nnn(-c2cccc3ccccc23)c1C1CC1
InChIInChI=1S/C16H12N4/c17-10-14-16(12-8-9-12)20(19-18-14)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12H,8-9H2
InChIKeyQSZUVKXHDAXJKE-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.17
Rot. Bonds2

About 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile

5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile (PubChem CID 82199741) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile
PubChem CID82199741
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile
SMILESN#Cc1nnn(-c2cccc3ccccc23)c1C1CC1
InChIInChI=1S/C16H12N4/c17-10-14-16(12-8-9-12)20(19-18-14)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12H,8-9H2
InChIKeyQSZUVKXHDAXJKE-UHFFFAOYSA-N
XLogP3.17
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile (CID 82199741) is 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile is N#Cc1nnn(-c2cccc3ccccc23)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile?
The InChIKey is QSZUVKXHDAXJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-10-14-16(12-8-9-12)20(19-18-14)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,12H,8-9H2.
What are the key properties of 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile?
5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile is sourced from PubChem (CID 82199741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).