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

C11H21N5 — CID 64574870

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(N)CN1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-3-9(2)10(12)6-15-4-5-16-8-13-14-11(16)7-15/h8-10H,3-7,12H2,1-2H3
InChIKeyWNGSBEIYLNYOOH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.47
Rot. Bonds4

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine (PubChem CID 64574870) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine
PubChem CID64574870
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(N)CN1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-3-9(2)10(12)6-15-4-5-16-8-13-14-11(16)7-15/h8-10H,3-7,12H2,1-2H3
InChIKeyWNGSBEIYLNYOOH-UHFFFAOYSA-N
XLogP0.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine (CID 64574870) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine is CCC(C)C(N)CN1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine?
The InChIKey is WNGSBEIYLNYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-9(2)10(12)6-15-4-5-16-8-13-14-11(16)7-15/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylpentan-2-amine is sourced from PubChem (CID 64574870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).