1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine

C8H16N4O — CID 62563140

IUPAC1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCn1cncn1
InChIInChI=1S/C8H16N4O/c1-8(5-13-2)10-3-4-12-7-9-6-11-12/h6-8,10H,3-5H2,1-2H3
InChIKeyDVZVAXACAIQNSX-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.10
Rot. Bonds6

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

1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (PubChem CID 62563140) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
PubChem CID62563140
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCn1cncn1
InChIInChI=1S/C8H16N4O/c1-8(5-13-2)10-3-4-12-7-9-6-11-12/h6-8,10H,3-5H2,1-2H3
InChIKeyDVZVAXACAIQNSX-UHFFFAOYSA-N
XLogP-0.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (CID 62563140) is 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is COCC(C)NCCn1cncn1.
What is the InChIKey of 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is DVZVAXACAIQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(5-13-2)10-3-4-12-7-9-6-11-12/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 184.24 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62563140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).