[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol

C13H18N4O — CID 134375658

IUPAC[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
SMILESCc1ccc(N(C)CCn2cc(CO)nn2)cc1
InChIInChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)16(2)7-8-17-9-12(10-18)14-15-17/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyJCVPIIHZXABOCJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.22
Rot. Bonds5

About [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol

[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol (PubChem CID 134375658) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
PubChem CID134375658
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
SMILESCc1ccc(N(C)CCn2cc(CO)nn2)cc1
InChIInChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)16(2)7-8-17-9-12(10-18)14-15-17/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyJCVPIIHZXABOCJ-UHFFFAOYSA-N
XLogP1.22
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
CID 55069972
[1-[3-(4-methylphenoxy)propyl]triazol-4-yl]methanol
CID 82209490
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
CID 62400540
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
CID 62436489
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
1-[2-(4-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584927

Frequently Asked Questions

What is the IUPAC name of [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol (CID 134375658) is [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol is Cc1ccc(N(C)CCn2cc(CO)nn2)cc1.
What is the InChIKey of [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol?
The InChIKey is JCVPIIHZXABOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)16(2)7-8-17-9-12(10-18)14-15-17/h3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol?
[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 134375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).