1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine

C7H14N4O — CID 130564318

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)OCn1cnc(N)n1
InChIInChI=1S/C7H14N4O/c1-7(2,3)12-5-11-4-9-6(8)10-11/h4H,5H2,1-3H3,(H2,8,10)
InChIKeyKGWCGAKRTNZZRX-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.63
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine

1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine (PubChem CID 130564318) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine
PubChem CID130564318
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine
SMILESCC(C)(C)OCn1cnc(N)n1
InChIInChI=1S/C7H14N4O/c1-7(2,3)12-5-11-4-9-6(8)10-11/h4H,5H2,1-3H3,(H2,8,10)
InChIKeyKGWCGAKRTNZZRX-UHFFFAOYSA-N
XLogP0.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine (CID 130564318) is 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine is CC(C)(C)OCn1cnc(N)n1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine?
The InChIKey is KGWCGAKRTNZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(2,3)12-5-11-4-9-6(8)10-11/h4H,5H2,1-3H3,(H2,8,10).
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine?
1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130564318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).