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

C4H5N5 — CID 121313892

IUPAC5-amino-1-methyl-1,2,4-triazole-3-carbonitrile
SMILESCn1nc(C#N)nc1N
InChIInChI=1S/C4H5N5/c1-9-4(6)7-3(2-5)8-9/h1H3,(H2,6,7,8)
InChIKeyXIYLDPNSVOXTGH-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.73
Rot. Bonds

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

5-amino-1-methyl-1,2,4-triazole-3-carbonitrile (PubChem CID 121313892) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-1,2,4-triazole-3-carbonitrile
PubChem CID121313892
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name5-amino-1-methyl-1,2,4-triazole-3-carbonitrile
SMILESCn1nc(C#N)nc1N
InChIInChI=1S/C4H5N5/c1-9-4(6)7-3(2-5)8-9/h1H3,(H2,6,7,8)
InChIKeyXIYLDPNSVOXTGH-UHFFFAOYSA-N
XLogP-0.73
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
dimethyl-1H-1,2,4-triazole-5-carbonitrile
CID 82650970
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
3-bromo-1-methyl-1H-1,2,4-triazole-5-carbonitrile
CID 56776531
1-methyl-1H-1,2,4-triazole-3-carbonitrile
CID 60710317
4,5-Dimethyl-4H-1,2,4-triazol-3-amine
CID 12252710
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
1-ethyl-3-methyl-1H-1,2,4-triazol-5-amine
CID 62678108
dimethyl-1H-1,2,4-triazol-5-amine hydroiodide
CID 75480754
dimethyl-1H-1,2,4-triazole-3-carbonitrile
CID 82650969
N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 11206128

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile (CID 121313892) is 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile is Cn1nc(C#N)nc1N.
What is the InChIKey of 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile?
The InChIKey is XIYLDPNSVOXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c1-9-4(6)7-3(2-5)8-9/h1H3,(H2,6,7,8).
What are the key properties of 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile?
5-amino-1-methyl-1,2,4-triazole-3-carbonitrile has a molecular weight of 123.12 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 121313892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).