6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine

C15H18N4 — CID 79825418

IUPAC6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
SMILESNc1ccc(NC2CCc3ccccc3C2)nc1N
InChIInChI=1S/C15H18N4/c16-13-7-8-14(19-15(13)17)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9,16H2,(H3,17,18,19)
InChIKeyHFPYXZGEVOJVCD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.22
Rot. Bonds2

About 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine

6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine (PubChem CID 79825418) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
PubChem CID79825418
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
SMILESNc1ccc(NC2CCc3ccccc3C2)nc1N
InChIInChI=1S/C15H18N4/c16-13-7-8-14(19-15(13)17)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9,16H2,(H3,17,18,19)
InChIKeyHFPYXZGEVOJVCD-UHFFFAOYSA-N
XLogP2.22
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine (CID 79825418) is 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine is Nc1ccc(NC2CCc3ccccc3C2)nc1N.
What is the InChIKey of 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine?
The InChIKey is HFPYXZGEVOJVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-13-7-8-14(19-15(13)17)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9,16H2,(H3,17,18,19).
What are the key properties of 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine?
6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine has a molecular weight of 254.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79825418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).