N-prop-2-ynyl-2-(triazol-1-yl)aniline

C11H10N4 — CID 63951872

IUPACN-prop-2-ynyl-2-(triazol-1-yl)aniline
SMILESC#CCNc1ccccc1-n1ccnn1
InChIInChI=1S/C11H10N4/c1-2-7-12-10-5-3-4-6-11(10)15-9-8-13-14-15/h1,3-6,8-9,12H,7H2
InChIKeyVGDARLXCIWRLCG-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.31
Rot. Bonds3

About N-prop-2-ynyl-2-(triazol-1-yl)aniline

N-prop-2-ynyl-2-(triazol-1-yl)aniline (PubChem CID 63951872) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(triazol-1-yl)aniline
PubChem CID63951872
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC NameN-prop-2-ynyl-2-(triazol-1-yl)aniline
SMILESC#CCNc1ccccc1-n1ccnn1
InChIInChI=1S/C11H10N4/c1-2-7-12-10-5-3-4-6-11(10)15-9-8-13-14-15/h1,3-6,8-9,12H,7H2
InChIKeyVGDARLXCIWRLCG-UHFFFAOYSA-N
XLogP1.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.31
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

3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327
N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 60780238
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79775616
1-[2-(sulfamoylamino)phenyl]triazole
CID 112573317
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
1-bromo-N-[2-(triazol-1-yl)phenyl]methanesulfonamide
CID 83084408
1-[2-(chloromethyl)phenyl]triazole
CID 140640955
N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 83232418
N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 43676139
4-chloro-2-[[2-(triazol-1-yl)anilino]methyl]phenol
CID 43676172

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(triazol-1-yl)aniline?
The IUPAC name of N-prop-2-ynyl-2-(triazol-1-yl)aniline (CID 63951872) is N-prop-2-ynyl-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-prop-2-ynyl-2-(triazol-1-yl)aniline?
The canonical SMILES for N-prop-2-ynyl-2-(triazol-1-yl)aniline is C#CCNc1ccccc1-n1ccnn1.
What is the InChIKey of N-prop-2-ynyl-2-(triazol-1-yl)aniline?
The InChIKey is VGDARLXCIWRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-7-12-10-5-3-4-6-11(10)15-9-8-13-14-15/h1,3-6,8-9,12H,7H2.
What are the key properties of N-prop-2-ynyl-2-(triazol-1-yl)aniline?
N-prop-2-ynyl-2-(triazol-1-yl)aniline has a molecular weight of 198.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(triazol-1-yl)aniline is sourced from PubChem (CID 63951872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).