5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine

C14H21N5O — CID 82895165

IUPAC5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine
SMILESCOc1cc(C)nc(Cn2nnc(N)c2C(C)(C)C)c1
InChIInChI=1S/C14H21N5O/c1-9-6-11(20-5)7-10(16-9)8-19-12(14(2,3)4)13(15)17-18-19/h6-7H,8,15H2,1-5H3
InChIKeyALBBMZCIJUXZME-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.92
Rot. Bonds3

About 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine

5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine (PubChem CID 82895165) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine
PubChem CID82895165
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine
SMILESCOc1cc(C)nc(Cn2nnc(N)c2C(C)(C)C)c1
InChIInChI=1S/C14H21N5O/c1-9-6-11(20-5)7-10(16-9)8-19-12(14(2,3)4)13(15)17-18-19/h6-7H,8,15H2,1-5H3
InChIKeyALBBMZCIJUXZME-UHFFFAOYSA-N
XLogP1.92
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-1-(pyrazin-2-ylmethyl)triazol-4-amine
CID 79542874
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79542188
5-tert-butyl-1-[(2-chloro-4-methylphenyl)methyl]triazol-4-amine
CID 106870834
2-[[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 82895598
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229070
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
N-[2-(4-methoxy-6-methyl-2-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 82896342
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one
CID 82892859

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine (CID 82895165) is 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine is COc1cc(C)nc(Cn2nnc(N)c2C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine?
The InChIKey is ALBBMZCIJUXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-6-11(20-5)7-10(16-9)8-19-12(14(2,3)4)13(15)17-18-19/h6-7H,8,15H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine?
5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-amine is sourced from PubChem (CID 82895165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).