3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide

C11H21N5O — CID 63999720

IUPAC3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(C(C)(C)N)nn1
InChIInChI=1S/C11H21N5O/c1-8(2)13-10(17)5-6-16-7-9(14-15-16)11(3,4)12/h7-8H,5-6,12H2,1-4H3,(H,13,17)
InChIKeyZZZIPYAPJDHMKS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.39
Rot. Bonds5

About 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide

3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 63999720) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID63999720
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(C(C)(C)N)nn1
InChIInChI=1S/C11H21N5O/c1-8(2)13-10(17)5-6-16-7-9(14-15-16)11(3,4)12/h7-8H,5-6,12H2,1-4H3,(H,13,17)
InChIKeyZZZIPYAPJDHMKS-UHFFFAOYSA-N
XLogP0.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
2-(1-pentyltriazol-4-yl)propan-2-amine
CID 63998354
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-butylacetamide
CID 63998333
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
CID 63999143
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
CID 146153302
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 63999337

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide (CID 63999720) is 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cc(C(C)(C)N)nn1.
What is the InChIKey of 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is ZZZIPYAPJDHMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(2)13-10(17)5-6-16-7-9(14-15-16)11(3,4)12/h7-8H,5-6,12H2,1-4H3,(H,13,17).
What are the key properties of 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide?
3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63999720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).