2-pentan-3-yl-1,2,4-triazol-3-amine

C7H14N4 — CID 62677914

IUPAC2-pentan-3-yl-1,2,4-triazol-3-amine
SMILESCCC(CC)n1ncnc1N
InChIInChI=1S/C7H14N4/c1-3-6(4-2)11-7(8)9-5-10-11/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyZUOHZPOLTCKCJQ-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.22
Rot. Bonds3

About 2-pentan-3-yl-1,2,4-triazol-3-amine

2-pentan-3-yl-1,2,4-triazol-3-amine (PubChem CID 62677914) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-pentan-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-pentan-3-yl-1,2,4-triazol-3-amine
PubChem CID62677914
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-pentan-3-yl-1,2,4-triazol-3-amine
SMILESCCC(CC)n1ncnc1N
InChIInChI=1S/C7H14N4/c1-3-6(4-2)11-7(8)9-5-10-11/h5-6H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyZUOHZPOLTCKCJQ-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-pentan-3-yl-1,2,4-triazol-3-amine (CID 62677914) is 2-pentan-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-pentan-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-pentan-3-yl-1,2,4-triazol-3-amine is CCC(CC)n1ncnc1N.
What is the InChIKey of 2-pentan-3-yl-1,2,4-triazol-3-amine?
The InChIKey is ZUOHZPOLTCKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-6(4-2)11-7(8)9-5-10-11/h5-6H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 2-pentan-3-yl-1,2,4-triazol-3-amine?
2-pentan-3-yl-1,2,4-triazol-3-amine has a molecular weight of 154.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 62677914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).