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

C16H21N5 — CID 79969075

IUPAC2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1cccc(C2CC2)c1)N1CCn2cnnc2C1
InChIInChI=1S/C16H21N5/c17-9-15(14-3-1-2-13(8-14)12-4-5-12)20-6-7-21-11-18-19-16(21)10-20/h1-3,8,11-12,15H,4-7,9-10,17H2
InChIKeyMQMJMPVVDDXVHJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds4

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

2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine (PubChem CID 79969075) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
PubChem CID79969075
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1cccc(C2CC2)c1)N1CCn2cnnc2C1
InChIInChI=1S/C16H21N5/c17-9-15(14-3-1-2-13(8-14)12-4-5-12)20-6-7-21-11-18-19-16(21)10-20/h1-3,8,11-12,15H,4-7,9-10,17H2
InChIKeyMQMJMPVVDDXVHJ-UHFFFAOYSA-N
XLogP1.67
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine (CID 79969075) is 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine is NCC(c1cccc(C2CC2)c1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
The InChIKey is MQMJMPVVDDXVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-9-15(14-3-1-2-13(8-14)12-4-5-12)20-6-7-21-11-18-19-16(21)10-20/h1-3,8,11-12,15H,4-7,9-10,17H2.
What are the key properties of 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine?
2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine is sourced from PubChem (CID 79969075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).