2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide

C15H29N5O — CID 63999942

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cn1cc(C(C)(C)N)nn1
InChIInChI=1S/C15H29N5O/c1-5-7-9-19(10-8-6-2)14(21)12-20-11-13(17-18-20)15(3,4)16/h11H,5-10,12,16H2,1-4H3
InChIKeySPOSJLSJUXMLED-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.90
Rot. Bonds9

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide (PubChem CID 63999942) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide
PubChem CID63999942
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cn1cc(C(C)(C)N)nn1
InChIInChI=1S/C15H29N5O/c1-5-7-9-19(10-8-6-2)14(21)12-20-11-13(17-18-20)15(3,4)16/h11H,5-10,12,16H2,1-4H3
InChIKeySPOSJLSJUXMLED-UHFFFAOYSA-N
XLogP1.90
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
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,N-dibutylacetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide (CID 63999942) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)Cn1cc(C(C)(C)N)nn1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide?
The InChIKey is SPOSJLSJUXMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-7-9-19(10-8-6-2)14(21)12-20-11-13(17-18-20)15(3,4)16/h11H,5-10,12,16H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide has a molecular weight of 295.43 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 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,N-dibutylacetamide is sourced from PubChem (CID 63999942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).