5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine

C7H14N4 — CID 3614433

IUPAC5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)Cc1nc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-7(2,3)4-5-9-6(8)11-10-5/h4H2,1-3H3,(H3,8,9,10,11)
InChIKeyNTBRNFIJXCWKOY-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.98
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine

5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine (PubChem CID 3614433) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine
PubChem CID3614433
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)Cc1nc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-7(2,3)4-5-9-6(8)11-10-5/h4H2,1-3H3,(H3,8,9,10,11)
InChIKeyNTBRNFIJXCWKOY-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine (CID 3614433) is 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine is CC(C)(C)Cc1nc(N)n[nH]1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is NTBRNFIJXCWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,3)4-5-9-6(8)11-10-5/h4H2,1-3H3,(H3,8,9,10,11).
What are the key properties of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine?
5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 154.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3614433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).