N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C16H24N4O — CID 63055963

IUPACN-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(COc2ccccc2CNCC(C)C)n1C
InChIInChI=1S/C16H24N4O/c1-12(2)9-17-10-14-7-5-6-8-15(14)21-11-16-19-18-13(3)20(16)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyVOBZMDVLRCMNKA-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.45
Rot. Bonds7

About N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63055963) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63055963
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(COc2ccccc2CNCC(C)C)n1C
InChIInChI=1S/C16H24N4O/c1-12(2)9-17-10-14-7-5-6-8-15(14)21-11-16-19-18-13(3)20(16)4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyVOBZMDVLRCMNKA-UHFFFAOYSA-N
XLogP2.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
N-[[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525012
N-[[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 43525018
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 55145919
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954092

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 63055963) is N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is Cc1nnc(COc2ccccc2CNCC(C)C)n1C.
What is the InChIKey of N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VOBZMDVLRCMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)9-17-10-14-7-5-6-8-15(14)21-11-16-19-18-13(3)20(16)4/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63055963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).