6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine

C19H20N6 — CID 167157133

IUPAC6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
SMILESCCCCCc1cc2nc(-n3nnc4ccccc43)ccc2nc1N
InChIInChI=1S/C19H20N6/c1-2-3-4-7-13-12-16-14(22-19(13)20)10-11-18(21-16)25-17-9-6-5-8-15(17)23-24-25/h5-6,8-12H,2-4,7H2,1H3,(H2,20,22)
InChIKeySBLHORHKVOBMBM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.68
Rot. Bonds5

About 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine

6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine (PubChem CID 167157133) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
PubChem CID167157133
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
SMILESCCCCCc1cc2nc(-n3nnc4ccccc43)ccc2nc1N
InChIInChI=1S/C19H20N6/c1-2-3-4-7-13-12-16-14(22-19(13)20)10-11-18(21-16)25-17-9-6-5-8-15(17)23-24-25/h5-6,8-12H,2-4,7H2,1H3,(H2,20,22)
InChIKeySBLHORHKVOBMBM-UHFFFAOYSA-N
XLogP3.68
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine?
The IUPAC name of 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine (CID 167157133) is 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine?
The canonical SMILES for 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine is CCCCCc1cc2nc(-n3nnc4ccccc43)ccc2nc1N.
What is the InChIKey of 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine?
The InChIKey is SBLHORHKVOBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-3-4-7-13-12-16-14(22-19(13)20)10-11-18(21-16)25-17-9-6-5-8-15(17)23-24-25/h5-6,8-12H,2-4,7H2,1H3,(H2,20,22).
What are the key properties of 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine?
6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine is sourced from PubChem (CID 167157133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).