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

C14H17N5O — CID 64576188

IUPAC2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCn2cnnc2C1)c1ccccc1
InChIInChI=1S/C14H17N5O/c1-14(15,11-5-3-2-4-6-11)13(20)18-7-8-19-10-16-17-12(19)9-18/h2-6,10H,7-9,15H2,1H3
InChIKeyOSDYTQQIVRPAMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.49
Rot. Bonds2

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

2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one (PubChem CID 64576188) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one
PubChem CID64576188
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCn2cnnc2C1)c1ccccc1
InChIInChI=1S/C14H17N5O/c1-14(15,11-5-3-2-4-6-11)13(20)18-7-8-19-10-16-17-12(19)9-18/h2-6,10H,7-9,15H2,1H3
InChIKeyOSDYTQQIVRPAMA-UHFFFAOYSA-N
XLogP0.49
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64576761
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835833
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3-(trifluoromethyl)benzoic acid
CID 167785105
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)propanoic acid
CID 64575080
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one (CID 64576188) is 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one is CC(N)(C(=O)N1CCn2cnnc2C1)c1ccccc1.
What is the InChIKey of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one?
The InChIKey is OSDYTQQIVRPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-14(15,11-5-3-2-4-6-11)13(20)18-7-8-19-10-16-17-12(19)9-18/h2-6,10H,7-9,15H2,1H3.
What are the key properties of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one?
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one has a molecular weight of 271.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 64576188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).