2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide

C13H25N5O — CID 63999337

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)n1cc(C(C)(C)N)nn1
InChIInChI=1S/C13H25N5O/c1-7-12(3,4)15-11(19)9(2)18-8-10(16-17-18)13(5,6)14/h8-9H,7,14H2,1-6H3,(H,15,19)
InChIKeyKHRDGBMBQOAAQA-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63999337) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID63999337
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)n1cc(C(C)(C)N)nn1
InChIInChI=1S/C13H25N5O/c1-7-12(3,4)15-11(19)9(2)18-8-10(16-17-18)13(5,6)14/h8-9H,7,14H2,1-6H3,(H,15,19)
InChIKeyKHRDGBMBQOAAQA-UHFFFAOYSA-N
XLogP1.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide (CID 63999337) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)n1cc(C(C)(C)N)nn1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KHRDGBMBQOAAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-7-12(3,4)15-11(19)9(2)18-8-10(16-17-18)13(5,6)14/h8-9H,7,14H2,1-6H3,(H,15,19).
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 267.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63999337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).