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

C5H8N4 — CID 84647813

IUPAC1-cyclopropyl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC2)n1
InChIInChI=1S/C5H8N4/c6-5-7-3-9(8-5)4-1-2-4/h3-4H,1-2H2,(H2,6,8)
InChIKeyJBCOUGQDMIWSTQ-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.20
Rot. Bonds1

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

1-cyclopropyl-1,2,4-triazol-3-amine (PubChem CID 84647813) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-cyclopropyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-1,2,4-triazol-3-amine
PubChem CID84647813
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-cyclopropyl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC2)n1
InChIInChI=1S/C5H8N4/c6-5-7-3-9(8-5)4-1-2-4/h3-4H,1-2H2,(H2,6,8)
InChIKeyJBCOUGQDMIWSTQ-UHFFFAOYSA-N
XLogP0.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-cyclopropyl-1,2,4-triazol-3-amine (CID 84647813) is 1-cyclopropyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-cyclopropyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-cyclopropyl-1,2,4-triazol-3-amine is Nc1ncn(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1,2,4-triazol-3-amine?
The InChIKey is JBCOUGQDMIWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5-7-3-9(8-5)4-1-2-4/h3-4H,1-2H2,(H2,6,8).
What are the key properties of 1-cyclopropyl-1,2,4-triazol-3-amine?
1-cyclopropyl-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 84647813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).