1-(2-aminoethyl)-1,2,4-triazol-3-amine

C4H9N5 — CID 82502401

IUPAC1-(2-aminoethyl)-1,2,4-triazol-3-amine
SMILESNCCn1cnc(N)n1
InChIInChI=1S/C4H9N5/c5-1-2-9-3-7-4(6)8-9/h3H,1-2,5H2,(H2,6,8)
InChIKeyGLJKUHIPWXXVHW-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.18
Rot. Bonds2

About 1-(2-aminoethyl)-1,2,4-triazol-3-amine

1-(2-aminoethyl)-1,2,4-triazol-3-amine (PubChem CID 82502401) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-1,2,4-triazol-3-amine
PubChem CID82502401
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-(2-aminoethyl)-1,2,4-triazol-3-amine
SMILESNCCn1cnc(N)n1
InChIInChI=1S/C4H9N5/c5-1-2-9-3-7-4(6)8-9/h3H,1-2,5H2,(H2,6,8)
InChIKeyGLJKUHIPWXXVHW-UHFFFAOYSA-N
XLogP-1.18
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-1,2,4-triazol-3-amine (CID 82502401) is 1-(2-aminoethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-1,2,4-triazol-3-amine is NCCn1cnc(N)n1.
What is the InChIKey of 1-(2-aminoethyl)-1,2,4-triazol-3-amine?
The InChIKey is GLJKUHIPWXXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c5-1-2-9-3-7-4(6)8-9/h3H,1-2,5H2,(H2,6,8).
What are the key properties of 1-(2-aminoethyl)-1,2,4-triazol-3-amine?
1-(2-aminoethyl)-1,2,4-triazol-3-amine has a molecular weight of 127.15 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 82502401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).