(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H25N7O — CID 95612682

IUPAC(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H25N7O/c1-11(2)24-14(6-7-18-24)19-17(25)12(3)22-8-9-23-15(10-22)20-21-16(23)13-4-5-13/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,19,25)/t12-/m1/s1
InChIKeyXMBAVKVNGXZTEB-GFCCVEGCSA-N
MW343.44 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 95612682) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID95612682
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H25N7O/c1-11(2)24-14(6-7-18-24)19-17(25)12(3)22-8-9-23-15(10-22)20-21-16(23)13-4-5-13/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,19,25)/t12-/m1/s1
InChIKeyXMBAVKVNGXZTEB-GFCCVEGCSA-N
XLogP1.78
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide 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)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 95750293
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
(2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7988969
(2S)-2-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 124778984
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
(2R)-2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 37078163
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 100841830
(3aS,6aR)-2-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680093
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 95612682) is (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@@H](C)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is XMBAVKVNGXZTEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N7O/c1-11(2)24-14(6-7-18-24)19-17(25)12(3)22-8-9-23-15(10-22)20-21-16(23)13-4-5-13/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,19,25)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 343.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 95612682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).