2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N5 — CID 115419071

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCn3cnnc3C2)C(N)c2ccccc21
InChIInChI=1S/C16H21N5/c1-11-8-14(16(17)13-5-3-2-4-12(11)13)20-6-7-21-10-18-19-15(21)9-20/h2-5,10-11,14,16H,6-9,17H2,1H3
InChIKeyJYYWYIGTPKEOLJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds1

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419071) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419071
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCn3cnnc3C2)C(N)c2ccccc21
InChIInChI=1S/C16H21N5/c1-11-8-14(16(17)13-5-3-2-4-12(11)13)20-6-7-21-10-18-19-15(21)9-20/h2-5,10-11,14,16H,6-9,17H2,1H3
InChIKeyJYYWYIGTPKEOLJ-UHFFFAOYSA-N
XLogP1.67
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419071) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(N2CCn3cnnc3C2)C(N)c2ccccc21.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JYYWYIGTPKEOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-8-14(16(17)13-5-3-2-4-12(11)13)20-6-7-21-10-18-19-15(21)9-20/h2-5,10-11,14,16H,6-9,17H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.38 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).