2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

C12H19N7O — CID 61101810

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H19N7O/c1-7(2)19-9(4)11(8(3)16-19)15-10(20)5-18-6-14-12(13)17-18/h6-7H,5H2,1-4H3,(H2,13,17)(H,15,20)
InChIKeyDOAYZVMASNASSC-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.89
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 61101810) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID61101810
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C12H19N7O/c1-7(2)19-9(4)11(8(3)16-19)15-10(20)5-18-6-14-12(13)17-18/h6-7H,5H2,1-4H3,(H2,13,17)(H,15,20)
InChIKeyDOAYZVMASNASSC-UHFFFAOYSA-N
XLogP0.89
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101804
5-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54867107
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 60911455
2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 54863665
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
CID 79809789
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-propoxyacetamide
CID 48678933
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54863652
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248179
3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid
CID 64895716
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64629370

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (CID 61101810) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is Cc1nn(C(C)C)c(C)c1NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is DOAYZVMASNASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-7(2)19-9(4)11(8(3)16-19)15-10(20)5-18-6-14-12(13)17-18/h6-7H,5H2,1-4H3,(H2,13,17)(H,15,20).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 61101810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).