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

C10H19N5 — CID 64576855

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCn2cnnc2C1)NC
InChIInChI=1S/C10H19N5/c1-3-9(11-2)6-14-4-5-15-8-12-13-10(15)7-14/h8-9,11H,3-7H2,1-2H3
InChIKeyWAXQHZSRFQGTKV-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.09
Rot. Bonds4

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine (PubChem CID 64576855) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
PubChem CID64576855
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCn2cnnc2C1)NC
InChIInChI=1S/C10H19N5/c1-3-9(11-2)6-14-4-5-15-8-12-13-10(15)7-14/h8-9,11H,3-7H2,1-2H3
InChIKeyWAXQHZSRFQGTKV-UHFFFAOYSA-N
XLogP0.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.09
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)-N-methylbutan-2-amine?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine (CID 64576855) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine is CCC(CN1CCn2cnnc2C1)NC.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine?
The InChIKey is WAXQHZSRFQGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-3-9(11-2)6-14-4-5-15-8-12-13-10(15)7-14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine has a molecular weight of 209.30 g/mol, XLogP of 0.09, 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)-N-methylbutan-2-amine is sourced from PubChem (CID 64576855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).