2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine

C6H13N7 — CID 62363125

IUPAC2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESCC/N=C(\N)NC(C)c1nn[nH]n1
InChIInChI=1S/C6H13N7/c1-3-8-6(7)9-4(2)5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13)
InChIKeyVFKVHGQTXJPLLV-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.82
Rot. Bonds3

About 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine

2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine (PubChem CID 62363125) has the molecular formula C6H13N7 and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
PubChem CID62363125
Molecular FormulaC6H13N7
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine
SMILESCC/N=C(\N)NC(C)c1nn[nH]n1
InChIInChI=1S/C6H13N7/c1-3-8-6(7)9-4(2)5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13)
InChIKeyVFKVHGQTXJPLLV-UHFFFAOYSA-N
XLogP-0.82
TPSA104.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine (CID 62363125) is 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine is CC/N=C(\N)NC(C)c1nn[nH]n1.
What is the InChIKey of 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
The InChIKey is VFKVHGQTXJPLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7/c1-3-8-6(7)9-4(2)5-10-12-13-11-5/h4H,3H2,1-2H3,(H3,7,8,9)(H,10,11,12,13).
What are the key properties of 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine?
2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine has a molecular weight of 183.22 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(2H-tetrazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 62363125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).