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

C16H23N7O — CID 71932634

IUPAC2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H23N7O/c1-2-7-23-13(5-6-17-23)18-15(24)11-21-8-9-22-14(10-21)19-20-16(22)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,24)
InChIKeyDQRLSCWGWJJBGO-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.22
Rot. Bonds6

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

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 71932634) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID71932634
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H23N7O/c1-2-7-23-13(5-6-17-23)18-15(24)11-21-8-9-22-14(10-21)19-20-16(22)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,24)
InChIKeyDQRLSCWGWJJBGO-UHFFFAOYSA-N
XLogP1.22
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467467
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 46983158
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53572990
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53573041
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 56781632
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 71932717
4-[4-cyclopropyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-N-propylpiperidine-1-carboxamide
CID 72883001
2-{4-[4-cyclopropyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-N,N-dimethylacetamide
CID 72896291
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide
CID 134796252
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
CID 134796689
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 134797966
2,2-dimethyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)propanamide
CID 134798557

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide (CID 71932634) is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is DQRLSCWGWJJBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-2-7-23-13(5-6-17-23)18-15(24)11-21-8-9-22-14(10-21)19-20-16(22)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,24).
What are the key properties of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide?
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71932634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).