1-naphthalen-2-yltriazol-4-amine

C12H10N4 — CID 79502410

IUPAC1-naphthalen-2-yltriazol-4-amine
SMILESNc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C12H10N4/c13-12-8-16(15-14-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,13H2
InChIKeyZCXLDEBEPGXEHB-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.00
Rot. Bonds1

About 1-naphthalen-2-yltriazol-4-amine

1-naphthalen-2-yltriazol-4-amine (PubChem CID 79502410) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-naphthalen-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-naphthalen-2-yltriazol-4-amine
PubChem CID79502410
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name1-naphthalen-2-yltriazol-4-amine
SMILESNc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C12H10N4/c13-12-8-16(15-14-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,13H2
InChIKeyZCXLDEBEPGXEHB-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yltriazol-4-amine?
The IUPAC name of 1-naphthalen-2-yltriazol-4-amine (CID 79502410) is 1-naphthalen-2-yltriazol-4-amine.
What is the SMILES notation for 1-naphthalen-2-yltriazol-4-amine?
The canonical SMILES for 1-naphthalen-2-yltriazol-4-amine is Nc1cn(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of 1-naphthalen-2-yltriazol-4-amine?
The InChIKey is ZCXLDEBEPGXEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-12-8-16(15-14-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,13H2.
What are the key properties of 1-naphthalen-2-yltriazol-4-amine?
1-naphthalen-2-yltriazol-4-amine has a molecular weight of 210.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yltriazol-4-amine is sourced from PubChem (CID 79502410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).