5-cyclopropyl-1H-1,2,4-triazol-3-amine

C5H8N4 — CID 2758017

IUPAC5-cyclopropyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CC2)n1
InChIInChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9)
InChIKeyUKNDNCZZVHGBJQ-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.26
Rot. Bonds1

About 5-cyclopropyl-1H-1,2,4-triazol-3-amine

5-cyclopropyl-1H-1,2,4-triazol-3-amine (PubChem CID 2758017) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-cyclopropyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-1H-1,2,4-triazol-3-amine
PubChem CID2758017
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-cyclopropyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CC2)n1
InChIInChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9)
InChIKeyUKNDNCZZVHGBJQ-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclopropyl-1H-1,2,4-triazol-3-amine (CID 2758017) is 5-cyclopropyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclopropyl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1H-1,2,4-triazol-3-amine?
The InChIKey is UKNDNCZZVHGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9).
What are the key properties of 5-cyclopropyl-1H-1,2,4-triazol-3-amine?
5-cyclopropyl-1H-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 2758017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).