5-amino-4-ethyl-2H-tetrazole-3-carbonitrile

C4H8N6 — CID 155675901

IUPAC5-amino-4-ethyl-2H-tetrazole-3-carbonitrile
SMILESCCN1C(N)=NNN1C#N
InChIInChI=1S/C4H8N6/c1-2-9-4(6)7-8-10(9)3-5/h8H,2H2,1H3,(H2,6,7)
InChIKeyZYLTWSQNHOBBJT-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.25
Rot. Bonds1

About 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile

5-amino-4-ethyl-2H-tetrazole-3-carbonitrile (PubChem CID 155675901) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-ethyl-2H-tetrazole-3-carbonitrile
PubChem CID155675901
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name5-amino-4-ethyl-2H-tetrazole-3-carbonitrile
SMILESCCN1C(N)=NNN1C#N
InChIInChI=1S/C4H8N6/c1-2-9-4(6)7-8-10(9)3-5/h8H,2H2,1H3,(H2,6,7)
InChIKeyZYLTWSQNHOBBJT-UHFFFAOYSA-N
XLogP-1.25
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amino-ethylguanidine
CID 19819531
1-Amino-1-propylguanidine
CID 19879838
1,2-Diamino-1-ethylguanidine
CID 19966848
1,2-Diamino-1-ethylguanidine
CID 53920496
1,2-Diamino-1-ethylguanidine
CID 55279274
1-Amino-1-ethylguanidine;hydrochloride
CID 86084678
1-Amino-1-(cyanomethyl)guanidine;formonitrile
CID 87969037
3,4-di(propan-2-yl)-2H-tetrazol-5-amine
CID 142639925
1-Amino-1-ethyl-2-methylguanidine
CID 151166246
1-(2,3-dihydro-1H-tetrazol-5-yl)-1-propylhydrazine
CID 155130432
1-(3,4-dihydro-2H-1,2,4,3-triazaphosphol-5-yl)-1-ethylhydrazine
CID 155130472
1,2,3-Triamino-1-ethylguanidine
CID 155378080

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile?
The IUPAC name of 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile (CID 155675901) is 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile?
The canonical SMILES for 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile is CCN1C(N)=NNN1C#N.
What is the InChIKey of 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile?
The InChIKey is ZYLTWSQNHOBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c1-2-9-4(6)7-8-10(9)3-5/h8H,2H2,1H3,(H2,6,7).
What are the key properties of 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile?
5-amino-4-ethyl-2H-tetrazole-3-carbonitrile has a molecular weight of 140.15 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-2H-tetrazole-3-carbonitrile is sourced from PubChem (CID 155675901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).