2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C12H19N7O — CID 90651873

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C12H19N7O/c1-3-4-18-8-15-16-11(18)6-14-12(20)7-19-10(13)5-9(2)17-19/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,20)
InChIKeyAWJVVRSZCNDKIW-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.09
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 90651873) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID90651873
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C12H19N7O/c1-3-4-18-8-15-16-11(18)6-14-12(20)7-19-10(13)5-9(2)17-19/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,20)
InChIKeyAWJVVRSZCNDKIW-UHFFFAOYSA-N
XLogP0.09
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 90651873) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)Cn1nc(C)cc1N.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is AWJVVRSZCNDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-4-18-8-15-16-11(18)6-14-12(20)7-19-10(13)5-9(2)17-19/h5,8H,3-4,6-7,13H2,1-2H3,(H,14,20).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 90651873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).