3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine

C16H16N4 — CID 62720537

IUPAC3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine
SMILESCn1nc(C2CC2)nc1-c1cc2ccccc2cc1N
InChIInChI=1S/C16H16N4/c1-20-16(18-15(19-20)10-6-7-10)13-8-11-4-2-3-5-12(11)9-14(13)17/h2-5,8-10H,6-7,17H2,1H3
InChIKeyPNJQGONAOQHGLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.09
Rot. Bonds2

About 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine

3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine (PubChem CID 62720537) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine
PubChem CID62720537
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine
SMILESCn1nc(C2CC2)nc1-c1cc2ccccc2cc1N
InChIInChI=1S/C16H16N4/c1-20-16(18-15(19-20)10-6-7-10)13-8-11-4-2-3-5-12(11)9-14(13)17/h2-5,8-10H,6-7,17H2,1H3
InChIKeyPNJQGONAOQHGLY-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.09
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-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The IUPAC name of 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine (CID 62720537) is 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The canonical SMILES for 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine is Cn1nc(C2CC2)nc1-c1cc2ccccc2cc1N.
What is the InChIKey of 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine?
The InChIKey is PNJQGONAOQHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20-16(18-15(19-20)10-6-7-10)13-8-11-4-2-3-5-12(11)9-14(13)17/h2-5,8-10H,6-7,17H2,1H3.
What are the key properties of 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine?
3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)naphthalen-2-amine is sourced from PubChem (CID 62720537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).