2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide

C11H16N4O — CID 162787595

IUPAC2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1cc(CCCC)nn1
InChIInChI=1S/C11H16N4O/c1-3-5-6-10-8-15(14-13-10)9-11(16)12-7-4-2/h2,8H,3,5-7,9H2,1H3,(H,12,16)
InChIKeyIGEOYAKOUXWEMV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.37
Rot. Bonds6

About 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide

2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide (PubChem CID 162787595) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide
PubChem CID162787595
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1cc(CCCC)nn1
InChIInChI=1S/C11H16N4O/c1-3-5-6-10-8-15(14-13-10)9-11(16)12-7-4-2/h2,8H,3,5-7,9H2,1H3,(H,12,16)
InChIKeyIGEOYAKOUXWEMV-UHFFFAOYSA-N
XLogP0.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

YU-Mono-GK-DP
CID 16129555
YU-Mono-IK-DP
CID 16129558
YU-Mono-AR-DP
CID 16129519
YU-Mono-GR-DP
CID 16129540
YU-Mono-KI-DP
CID 16129542
N-hydroxy-2-(4-pentyltriazol-1-yl)acetamide
CID 70684402
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
2-[3-[1-[(1S)-2-keto-1-methyl-2-piperazino-ethyl]triazol-4-yl]propyl]guanidine;hydrochloride
CID 16066497
2-[3-[1-(2-Oxo-2-piperazin-1-ylethyl)triazol-4-yl]propyl]guanidine
CID 16066577
2-[4-(4-Aminobutyl)triazol-1-yl]-1-piperazin-1-ylethanone
CID 16066622
(2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-piperazin-1-ylpentan-1-one
CID 16066629
(2S)-6-amino-2-(4-butyltriazol-1-yl)-1-piperazino-hexan-1-one;hydrochloride
CID 16066587

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide (CID 162787595) is 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1cc(CCCC)nn1.
What is the InChIKey of 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is IGEOYAKOUXWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-5-6-10-8-15(14-13-10)9-11(16)12-7-4-2/h2,8H,3,5-7,9H2,1H3,(H,12,16).
What are the key properties of 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide?
2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 220.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyltriazol-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 162787595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).