1-(3-methoxy-3-methylbutyl)triazol-4-amine

C8H16N4O — CID 103019240

IUPAC1-(3-methoxy-3-methylbutyl)triazol-4-amine
SMILESCOC(C)(C)CCn1cc(N)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,13-3)4-5-12-6-7(9)10-11-12/h6H,4-5,9H2,1-3H3
InChIKeyAJKLAVWAVBRXSI-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.68
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)triazol-4-amine

1-(3-methoxy-3-methylbutyl)triazol-4-amine (PubChem CID 103019240) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)triazol-4-amine
PubChem CID103019240
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(3-methoxy-3-methylbutyl)triazol-4-amine
SMILESCOC(C)(C)CCn1cc(N)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,13-3)4-5-12-6-7(9)10-11-12/h6H,4-5,9H2,1-3H3
InChIKeyAJKLAVWAVBRXSI-UHFFFAOYSA-N
XLogP0.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)triazol-4-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)triazol-4-amine (CID 103019240) is 1-(3-methoxy-3-methylbutyl)triazol-4-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)triazol-4-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)triazol-4-amine is COC(C)(C)CCn1cc(N)nn1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)triazol-4-amine?
The InChIKey is AJKLAVWAVBRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,13-3)4-5-12-6-7(9)10-11-12/h6H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)triazol-4-amine?
1-(3-methoxy-3-methylbutyl)triazol-4-amine has a molecular weight of 184.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)triazol-4-amine is sourced from PubChem (CID 103019240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).