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

C21H23N5O — CID 175644466

IUPAC(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one
SMILESC[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)Cc2nnc(-c3ccccc3)n21
InChIInChI=1S/C21H23N5O/c1-15-13-25(21(27)18(22)12-16-8-4-2-5-9-16)14-19-23-24-20(26(15)19)17-10-6-3-7-11-17/h2-11,15,18H,12-14,22H2,1H3/t15-,18-/m0/s1
InChIKeyHYZYPPOIXVFDEE-YJBOKZPZSA-N
MW361.45 g/mol
LogP2.42
Rot. Bonds4

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

(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one (PubChem CID 175644466) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one
PubChem CID175644466
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one
SMILESC[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)Cc2nnc(-c3ccccc3)n21
InChIInChI=1S/C21H23N5O/c1-15-13-25(21(27)18(22)12-16-8-4-2-5-9-16)14-19-23-24-20(26(15)19)17-10-6-3-7-11-17/h2-11,15,18H,12-14,22H2,1H3/t15-,18-/m0/s1
InChIKeyHYZYPPOIXVFDEE-YJBOKZPZSA-N
XLogP2.42
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-amino-3-methoxy-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 175646418
1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide
CID 175644040
(1-hydroxycyclopentyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175646082
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 172659706
1-[4-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 172674389
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644584
(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172672273
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 175644146
(1-cyclopropylpyrrol-2-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172668182
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 172659016
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one (CID 175644466) is (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one is C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)Cc2nnc(-c3ccccc3)n21.
What is the InChIKey of (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one?
The InChIKey is HYZYPPOIXVFDEE-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-13-25(21(27)18(22)12-16-8-4-2-5-9-16)14-19-23-24-20(26(15)19)17-10-6-3-7-11-17/h2-11,15,18H,12-14,22H2,1H3/t15-,18-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one?
(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one has a molecular weight of 361.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 175644466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).