6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine

C16H17N5 — CID 58103142

IUPAC6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCc1ccc2cc(C(C)c3nnc(N)nc3N)ccc2c1
InChIInChI=1S/C16H17N5/c1-9-3-4-13-8-11(5-6-12(13)7-9)10(2)14-15(17)19-16(18)21-20-14/h3-8,10H,1-2H3,(H4,17,18,19,21)
InChIKeyFSRDTKSOQCXBOU-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.65
Rot. Bonds2

About 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine

6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 58103142) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID58103142
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCc1ccc2cc(C(C)c3nnc(N)nc3N)ccc2c1
InChIInChI=1S/C16H17N5/c1-9-3-4-13-8-11(5-6-12(13)7-9)10(2)14-15(17)19-16(18)21-20-14/h3-8,10H,1-2H3,(H4,17,18,19,21)
InChIKeyFSRDTKSOQCXBOU-UHFFFAOYSA-N
XLogP2.65
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine (CID 58103142) is 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine is Cc1ccc2cc(C(C)c3nnc(N)nc3N)ccc2c1.
What is the InChIKey of 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is FSRDTKSOQCXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-9-3-4-13-8-11(5-6-12(13)7-9)10(2)14-15(17)19-16(18)21-20-14/h3-8,10H,1-2H3,(H4,17,18,19,21).
What are the key properties of 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine?
6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methylnaphthalen-2-yl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 58103142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).