2-(1-cyclopropyltriazol-4-yl)ethanamine

C7H12N4 — CID 84649663

IUPAC2-(1-cyclopropyltriazol-4-yl)ethanamine
SMILESNCCc1cn(C2CC2)nn1
InChIInChI=1S/C7H12N4/c8-4-3-6-5-11(10-9-6)7-1-2-7/h5,7H,1-4,8H2
InChIKeyKHDBXRADZIIFBK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.11
Rot. Bonds3

About 2-(1-cyclopropyltriazol-4-yl)ethanamine

2-(1-cyclopropyltriazol-4-yl)ethanamine (PubChem CID 84649663) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(1-cyclopropyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyltriazol-4-yl)ethanamine
PubChem CID84649663
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-(1-cyclopropyltriazol-4-yl)ethanamine
SMILESNCCc1cn(C2CC2)nn1
InChIInChI=1S/C7H12N4/c8-4-3-6-5-11(10-9-6)7-1-2-7/h5,7H,1-4,8H2
InChIKeyKHDBXRADZIIFBK-UHFFFAOYSA-N
XLogP0.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopropyltriazol-4-yl)ethanamine (CID 84649663) is 2-(1-cyclopropyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopropyltriazol-4-yl)ethanamine is NCCc1cn(C2CC2)nn1.
What is the InChIKey of 2-(1-cyclopropyltriazol-4-yl)ethanamine?
The InChIKey is KHDBXRADZIIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-4-3-6-5-11(10-9-6)7-1-2-7/h5,7H,1-4,8H2.
What are the key properties of 2-(1-cyclopropyltriazol-4-yl)ethanamine?
2-(1-cyclopropyltriazol-4-yl)ethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltriazol-4-yl)ethanamine is sourced from PubChem (CID 84649663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).