5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile

C5H4N8O — CID 6404178

IUPAC5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1Nc1nonc1N
InChIInChI=1S/C5H4N8O/c6-1-2-4(10-13-9-2)8-5-3(7)11-14-12-5/h(H2,7,11)(H2,8,9,10,12,13)
InChIKeyGIERKPPQUHIPBL-UHFFFAOYSA-N
MW192.14 g/mol
LogP-0.61
Rot. Bonds2

About 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile

5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile (PubChem CID 6404178) has the molecular formula C5H4N8O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile
PubChem CID6404178
Molecular FormulaC5H4N8O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1Nc1nonc1N
InChIInChI=1S/C5H4N8O/c6-1-2-4(10-13-9-2)8-5-3(7)11-14-12-5/h(H2,7,11)(H2,8,9,10,12,13)
InChIKeyGIERKPPQUHIPBL-UHFFFAOYSA-N
XLogP-0.61
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile (CID 6404178) is 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1Nc1nonc1N.
What is the InChIKey of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile?
The InChIKey is GIERKPPQUHIPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N8O/c6-1-2-4(10-13-9-2)8-5-3(7)11-14-12-5/h(H2,7,11)(H2,8,9,10,12,13).
What are the key properties of 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile?
5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile has a molecular weight of 192.14 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 6404178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).