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

C12H22N6O — CID 66432421

IUPAC4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H22N6O/c1-9(2)15-12(19)5-10(6-13)17-3-4-18-8-14-16-11(18)7-17/h8-10H,3-7,13H2,1-2H3,(H,15,19)
InChIKeyFHUGBOUEZIACNW-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.66
Rot. Bonds5

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

4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide (PubChem CID 66432421) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide
PubChem CID66432421
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N1CCn2cnnc2C1
InChIInChI=1S/C12H22N6O/c1-9(2)15-12(19)5-10(6-13)17-3-4-18-8-14-16-11(18)7-17/h8-10H,3-7,13H2,1-2H3,(H,15,19)
InChIKeyFHUGBOUEZIACNW-UHFFFAOYSA-N
XLogP-0.66
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide (CID 66432421) is 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)N1CCn2cnnc2C1.
What is the InChIKey of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide?
The InChIKey is FHUGBOUEZIACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(2)15-12(19)5-10(6-13)17-3-4-18-8-14-16-11(18)7-17/h8-10H,3-7,13H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide?
4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide has a molecular weight of 266.35 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66432421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).