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

C15H29N5 — CID 64575253

IUPAC3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine
SMILESCC(C)(C)C(CCN)CCCN1CCn2cnnc2C1
InChIInChI=1S/C15H29N5/c1-15(2,3)13(6-7-16)5-4-8-19-9-10-20-12-17-18-14(20)11-19/h12-13H,4-11,16H2,1-3H3
InChIKeyCUYXEAXNWXVUPJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.88
Rot. Bonds6

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

3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine (PubChem CID 64575253) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine
PubChem CID64575253
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine
SMILESCC(C)(C)C(CCN)CCCN1CCn2cnnc2C1
InChIInChI=1S/C15H29N5/c1-15(2,3)13(6-7-16)5-4-8-19-9-10-20-12-17-18-14(20)11-19/h12-13H,4-11,16H2,1-3H3
InChIKeyCUYXEAXNWXVUPJ-UHFFFAOYSA-N
XLogP1.88
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine?
The IUPAC name of 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine (CID 64575253) is 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine.
What is the SMILES notation for 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine?
The canonical SMILES for 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine is CC(C)(C)C(CCN)CCCN1CCn2cnnc2C1.
What is the InChIKey of 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine?
The InChIKey is CUYXEAXNWXVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-15(2,3)13(6-7-16)5-4-8-19-9-10-20-12-17-18-14(20)11-19/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine?
3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)hexan-1-amine is sourced from PubChem (CID 64575253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).