3-amino-3-(2H-triazol-4-yl)propanenitrile

C5H7N5 — CID 90050590

IUPAC3-amino-3-(2H-triazol-4-yl)propanenitrile
SMILESN#CCC(N)c1cn[nH]n1
InChIInChI=1S/C5H7N5/c6-2-1-4(7)5-3-8-10-9-5/h3-4H,1,7H2,(H,8,9,10)
InChIKeyOTQWEENZTYCRTO-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.28
Rot. Bonds2

About 3-amino-3-(2H-triazol-4-yl)propanenitrile

3-amino-3-(2H-triazol-4-yl)propanenitrile (PubChem CID 90050590) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 3-amino-3-(2H-triazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(2H-triazol-4-yl)propanenitrile
PubChem CID90050590
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name3-amino-3-(2H-triazol-4-yl)propanenitrile
SMILESN#CCC(N)c1cn[nH]n1
InChIInChI=1S/C5H7N5/c6-2-1-4(7)5-3-8-10-9-5/h3-4H,1,7H2,(H,8,9,10)
InChIKeyOTQWEENZTYCRTO-UHFFFAOYSA-N
XLogP-0.28
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2H-triazol-4-yl)propanenitrile?
The IUPAC name of 3-amino-3-(2H-triazol-4-yl)propanenitrile (CID 90050590) is 3-amino-3-(2H-triazol-4-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(2H-triazol-4-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(2H-triazol-4-yl)propanenitrile is N#CCC(N)c1cn[nH]n1.
What is the InChIKey of 3-amino-3-(2H-triazol-4-yl)propanenitrile?
The InChIKey is OTQWEENZTYCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-2-1-4(7)5-3-8-10-9-5/h3-4H,1,7H2,(H,8,9,10).
What are the key properties of 3-amino-3-(2H-triazol-4-yl)propanenitrile?
3-amino-3-(2H-triazol-4-yl)propanenitrile has a molecular weight of 137.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2H-triazol-4-yl)propanenitrile is sourced from PubChem (CID 90050590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).