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

C7H14N4 — CID 3565003

IUPAC5-pentan-3-yl-1H-1,2,4-triazol-3-amine
SMILESCCC(CC)c1nc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyKGEBCMXWAXAJQH-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.29
Rot. Bonds3

About 5-pentan-3-yl-1H-1,2,4-triazol-3-amine

5-pentan-3-yl-1H-1,2,4-triazol-3-amine (PubChem CID 3565003) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-pentan-3-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pentan-3-yl-1H-1,2,4-triazol-3-amine
PubChem CID3565003
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-pentan-3-yl-1H-1,2,4-triazol-3-amine
SMILESCCC(CC)c1nc(N)n[nH]1
InChIInChI=1S/C7H14N4/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyKGEBCMXWAXAJQH-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-pentan-3-yl-1H-1,2,4-triazol-3-amine (CID 3565003) is 5-pentan-3-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pentan-3-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pentan-3-yl-1H-1,2,4-triazol-3-amine is CCC(CC)c1nc(N)n[nH]1.
What is the InChIKey of 5-pentan-3-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is KGEBCMXWAXAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 5-pentan-3-yl-1H-1,2,4-triazol-3-amine?
5-pentan-3-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 154.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3565003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).