3-amino-1H-1,2,4-triazole-5-carbonitrile

C3H3N5 — CID 24711867

IUPAC3-amino-1H-1,2,4-triazole-5-carbonitrile
SMILESN#Cc1nc(N)n[nH]1
InChIInChI=1S/C3H3N5/c4-1-2-6-3(5)8-7-2/h(H3,5,6,7,8)
InChIKeyABNCJPUPSBOIDL-UHFFFAOYSA-N
MW109.09 g/mol
LogP-0.74
Rot. Bonds

About 3-amino-1H-1,2,4-triazole-5-carbonitrile

3-amino-1H-1,2,4-triazole-5-carbonitrile (PubChem CID 24711867) has the molecular formula C3H3N5 and a molecular weight of 109.09 g/mol. Its IUPAC name is 3-amino-1H-1,2,4-triazole-5-carbonitrile.

Molecular Properties

Compound Name3-amino-1H-1,2,4-triazole-5-carbonitrile
PubChem CID24711867
Molecular FormulaC3H3N5
Molecular Weight109.09 g/mol
Exact Mass109.04
IUPAC Name3-amino-1H-1,2,4-triazole-5-carbonitrile
SMILESN#Cc1nc(N)n[nH]1
InChIInChI=1S/C3H3N5/c4-1-2-6-3(5)8-7-2/h(H3,5,6,7,8)
InChIKeyABNCJPUPSBOIDL-UHFFFAOYSA-N
XLogP-0.74
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-1,2,4-triazole-5-carbonitrile?
The IUPAC name of 3-amino-1H-1,2,4-triazole-5-carbonitrile (CID 24711867) is 3-amino-1H-1,2,4-triazole-5-carbonitrile.
What is the SMILES notation for 3-amino-1H-1,2,4-triazole-5-carbonitrile?
The canonical SMILES for 3-amino-1H-1,2,4-triazole-5-carbonitrile is N#Cc1nc(N)n[nH]1.
What is the InChIKey of 3-amino-1H-1,2,4-triazole-5-carbonitrile?
The InChIKey is ABNCJPUPSBOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5/c4-1-2-6-3(5)8-7-2/h(H3,5,6,7,8).
What are the key properties of 3-amino-1H-1,2,4-triazole-5-carbonitrile?
3-amino-1H-1,2,4-triazole-5-carbonitrile has a molecular weight of 109.09 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-1,2,4-triazole-5-carbonitrile is sourced from PubChem (CID 24711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).