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

C12H20N6O — CID 66430397

IUPAC4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide
SMILESNCC(CC(=O)NC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H20N6O/c13-6-10(5-12(19)15-9-1-2-9)17-3-4-18-8-14-16-11(18)7-17/h8-10H,1-7,13H2,(H,15,19)
InChIKeyHLHFHAZBZOEZME-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.91
Rot. Bonds5

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

4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide (PubChem CID 66430397) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide
PubChem CID66430397
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide
SMILESNCC(CC(=O)NC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H20N6O/c13-6-10(5-12(19)15-9-1-2-9)17-3-4-18-8-14-16-11(18)7-17/h8-10H,1-7,13H2,(H,15,19)
InChIKeyHLHFHAZBZOEZME-UHFFFAOYSA-N
XLogP-0.91
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
4-amino-3-(4-cyclopentylpiperazin-1-yl)-N-cyclopropylbutanamide
CID 66432440
4-amino-N-cyclopropyl-3-(3,4,5-trimethylpiperazin-1-yl)butanamide
CID 114537377
4-amino-N-cyclopropyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66429992
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoic acid
CID 64576109
N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
CID 64579846
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanethioamide
CID 64576493
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
CID 64574739
ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
CID 64579622
2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 64727539
1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid
CID 79645412
(2S)-4-amino-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-4-oxobutanoic acid
CID 64577373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide (CID 66430397) is 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide is NCC(CC(=O)NC1CC1)N1CCn2cnnc2C1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide?
The InChIKey is HLHFHAZBZOEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c13-6-10(5-12(19)15-9-1-2-9)17-3-4-18-8-14-16-11(18)7-17/h8-10H,1-7,13H2,(H,15,19).
What are the key properties of 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide?
4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide has a molecular weight of 264.33 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanamide is sourced from PubChem (CID 66430397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).