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

C10H20N4O — CID 63332509

IUPAC4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NCCc1nncn1C
InChIInChI=1S/C10H20N4O/c1-9(5-7-15-3)11-6-4-10-13-12-8-14(10)2/h8-9,11H,4-7H2,1-3H3
InChIKeyAPRHEJHAMULAFW-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.37
Rot. Bonds7

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

4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (PubChem CID 63332509) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
PubChem CID63332509
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NCCc1nncn1C
InChIInChI=1S/C10H20N4O/c1-9(5-7-15-3)11-6-4-10-13-12-8-14(10)2/h8-9,11H,4-7H2,1-3H3
InChIKeyAPRHEJHAMULAFW-UHFFFAOYSA-N
XLogP0.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332236
methyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332871
3-methoxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 103251264
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
N-(dicyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329245
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pentanoic acid
CID 83040599
1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 104653002
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 82962932

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (CID 63332509) is 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is COCCC(C)NCCc1nncn1C.
What is the InChIKey of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The InChIKey is APRHEJHAMULAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9(5-7-15-3)11-6-4-10-13-12-8-14(10)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63332509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).