3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine

C15H16N4 — CID 55154678

IUPAC3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESNCCCc1nc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H16N4/c16-10-4-9-14-17-15(19-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,16H2,(H,17,18,19)
InChIKeyNAGKHIBALVCAKX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine

3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 55154678) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID55154678
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESNCCCc1nc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C15H16N4/c16-10-4-9-14-17-15(19-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,16H2,(H,17,18,19)
InChIKeyNAGKHIBALVCAKX-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine (CID 55154678) is 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine is NCCCc1nc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is NAGKHIBALVCAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-10-4-9-14-17-15(19-18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,16H2,(H,17,18,19).
What are the key properties of 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine?
3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 55154678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).