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

C12H23N5 — CID 64575313

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine
SMILESCC(N)C(N1CCn2cnnc2C1)C(C)(C)C
InChIInChI=1S/C12H23N5/c1-9(13)11(12(2,3)4)16-5-6-17-8-14-15-10(17)7-16/h8-9,11H,5-7,13H2,1-4H3
InChIKeyNOQHSKVQYFHUEK-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.86
Rot. Bonds2

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine (PubChem CID 64575313) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine
PubChem CID64575313
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine
SMILESCC(N)C(N1CCn2cnnc2C1)C(C)(C)C
InChIInChI=1S/C12H23N5/c1-9(13)11(12(2,3)4)16-5-6-17-8-14-15-10(17)7-16/h8-9,11H,5-7,13H2,1-4H3
InChIKeyNOQHSKVQYFHUEK-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine (CID 64575313) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine is CC(N)C(N1CCn2cnnc2C1)C(C)(C)C.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine?
The InChIKey is NOQHSKVQYFHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(13)11(12(2,3)4)16-5-6-17-8-14-15-10(17)7-16/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 64575313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).