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

C15H16N4 — CID 62695844

IUPAC3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine
SMILESCC(C)n1cnnc1-c1cc2ccccc2cc1N
InChIInChI=1S/C15H16N4/c1-10(2)19-9-17-18-15(19)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-10H,16H2,1-2H3
InChIKeyHREDDPLMTSFBDY-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.26
Rot. Bonds2

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

3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine (PubChem CID 62695844) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine
PubChem CID62695844
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine
SMILESCC(C)n1cnnc1-c1cc2ccccc2cc1N
InChIInChI=1S/C15H16N4/c1-10(2)19-9-17-18-15(19)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-10H,16H2,1-2H3
InChIKeyHREDDPLMTSFBDY-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The IUPAC name of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine (CID 62695844) is 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The canonical SMILES for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine is CC(C)n1cnnc1-c1cc2ccccc2cc1N.
What is the InChIKey of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The InChIKey is HREDDPLMTSFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)19-9-17-18-15(19)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-10H,16H2,1-2H3.
What are the key properties of 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine?
3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine has a molecular weight of 252.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1,2,4-triazol-3-yl)naphthalen-2-amine is sourced from PubChem (CID 62695844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).