N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C15H23N5O — CID 79781446

IUPACN-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ncnn2C(C)C)cn1
InChIInChI=1S/C15H23N5O/c1-4-7-16-8-13-5-6-14(9-17-13)21-10-15-18-11-19-20(15)12(2)3/h5-6,9,11-12,16H,4,7-8,10H2,1-3H3
InChIKeyAGJHLMOEGAMCMH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds8

About N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79781446) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID79781446
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ncnn2C(C)C)cn1
InChIInChI=1S/C15H23N5O/c1-4-7-16-8-13-5-6-14(9-17-13)21-10-15-18-11-19-20(15)12(2)3/h5-6,9,11-12,16H,4,7-8,10H2,1-3H3
InChIKeyAGJHLMOEGAMCMH-UHFFFAOYSA-N
XLogP2.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine 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

2-(bromomethyl)-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79799765
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
N-[[5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782045
N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methanamine
CID 79775503
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 79781446) is N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2ncnn2C(C)C)cn1.
What is the InChIKey of N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is AGJHLMOEGAMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-7-16-8-13-5-6-14(9-17-13)21-10-15-18-11-19-20(15)12(2)3/h5-6,9,11-12,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79781446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).