2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine

C5H13N7 — CID 72950778

IUPAC2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine
SMILESCN(C)CCN(N)c1nn[nH]n1
InChIInChI=1S/C5H13N7/c1-11(2)3-4-12(6)5-7-9-10-8-5/h3-4,6H2,1-2H3,(H,7,8,9,10)
InChIKeyISSLGXFMAGYPEO-UHFFFAOYSA-N
MW171.21 g/mol
LogP-1.56
Rot. Bonds4

About 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine

2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine (PubChem CID 72950778) has the molecular formula C5H13N7 and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine
PubChem CID72950778
Molecular FormulaC5H13N7
Molecular Weight171.21 g/mol
Exact Mass171.12
IUPAC Name2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine
SMILESCN(C)CCN(N)c1nn[nH]n1
InChIInChI=1S/C5H13N7/c1-11(2)3-4-12(6)5-7-9-10-8-5/h3-4,6H2,1-2H3,(H,7,8,9,10)
InChIKeyISSLGXFMAGYPEO-UHFFFAOYSA-N
XLogP-1.56
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine?
The IUPAC name of 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine (CID 72950778) is 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine?
The canonical SMILES for 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine is CN(C)CCN(N)c1nn[nH]n1.
What is the InChIKey of 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine?
The InChIKey is ISSLGXFMAGYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N7/c1-11(2)3-4-12(6)5-7-9-10-8-5/h3-4,6H2,1-2H3,(H,7,8,9,10).
What are the key properties of 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine?
2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine has a molecular weight of 171.21 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 72950778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).