2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine

C7H14N4O — CID 104605296

IUPAC2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
SMILESCC(C)OCc1nc(N)n(C)n1
InChIInChI=1S/C7H14N4O/c1-5(2)12-4-6-9-7(8)11(3)10-6/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyNHVWCHYMZGQVEF-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.32
Rot. Bonds3

About 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine

2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine (PubChem CID 104605296) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
PubChem CID104605296
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
SMILESCC(C)OCc1nc(N)n(C)n1
InChIInChI=1S/C7H14N4O/c1-5(2)12-4-6-9-7(8)11(3)10-6/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyNHVWCHYMZGQVEF-UHFFFAOYSA-N
XLogP0.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine (CID 104605296) is 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine is CC(C)OCc1nc(N)n(C)n1.
What is the InChIKey of 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine?
The InChIKey is NHVWCHYMZGQVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)12-4-6-9-7(8)11(3)10-6/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine?
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).