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

C15H23N5O — CID 79783662

IUPACN-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncnc1COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H23N5O/c1-5-20-14(17-11-19-20)10-21-13-7-6-12(16-9-13)8-18-15(2,3)4/h6-7,9,11,18H,5,8,10H2,1-4H3
InChIKeyDJQIYCFDOQWSKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds6

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

N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 79783662) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID79783662
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncnc1COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H23N5O/c1-5-20-14(17-11-19-20)10-21-13-7-6-12(16-9-13)8-18-15(2,3)4/h6-7,9,11,18H,5,8,10H2,1-4H3
InChIKeyDJQIYCFDOQWSKX-UHFFFAOYSA-N
XLogP2.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800710
N-[[5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782045
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methanamine
CID 79775503
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63771178
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
2-(bromomethyl)-5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]pyridine
CID 79799849
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781446
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79794186

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 79783662) is N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCn1ncnc1COc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DJQIYCFDOQWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-20-14(17-11-19-20)10-21-13-7-6-12(16-9-13)8-18-15(2,3)4/h6-7,9,11,18H,5,8,10H2,1-4H3.
What are the key properties of N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79783662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).