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

C8H14N4 — CID 130553098

IUPAC5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine
SMILESCCCC1(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C8H14N4/c1-2-3-8(4-5-8)6-10-7(9)12-11-6/h2-5H2,1H3,(H3,9,10,11,12)
InChIKeyFRMCJFLIPJKHFA-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.22
Rot. Bonds3

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

5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine (PubChem CID 130553098) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine
PubChem CID130553098
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine
SMILESCCCC1(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C8H14N4/c1-2-3-8(4-5-8)6-10-7(9)12-11-6/h2-5H2,1H3,(H3,9,10,11,12)
InChIKeyFRMCJFLIPJKHFA-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine (CID 130553098) is 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine is CCCC1(c2nc(N)n[nH]2)CC1.
What is the InChIKey of 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is FRMCJFLIPJKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-3-8(4-5-8)6-10-7(9)12-11-6/h2-5H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine?
5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 130553098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).