1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine

C10H20N4O — CID 62709364

IUPAC1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nncn1CCOC
InChIInChI=1S/C10H20N4O/c1-4-8(2)9(11)10-13-12-7-14(10)5-6-15-3/h7-9H,4-6,11H2,1-3H3
InChIKeyJJBHVOWRIMRTMV-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.97
Rot. Bonds6

About 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine

1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine (PubChem CID 62709364) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine
PubChem CID62709364
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nncn1CCOC
InChIInChI=1S/C10H20N4O/c1-4-8(2)9(11)10-13-12-7-14(10)5-6-15-3/h7-9H,4-6,11H2,1-3H3
InChIKeyJJBHVOWRIMRTMV-UHFFFAOYSA-N
XLogP0.97
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine?
The IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine (CID 62709364) is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine is CCC(C)C(N)c1nncn1CCOC.
What is the InChIKey of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine?
The InChIKey is JJBHVOWRIMRTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-8(2)9(11)10-13-12-7-14(10)5-6-15-3/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine?
1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 62709364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).