(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide

C5H12N6 — CID 6453411

IUPAC(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide
SMILES[H]/N=C(\N(C)C)[N+](=C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H12N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1H2,2-4H3;/q+1;-1/b6-5-;
InChIKeyHFSYUFOZUAJWDE-YSMBQZINSA-N
MW156.19 g/mol
LogP0.69
Rot. Bonds

About (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide

(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide (PubChem CID 6453411) has the molecular formula C5H12N6 and a molecular weight of 156.19 g/mol. Its IUPAC name is (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide.

Molecular Properties

Compound Name(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide
PubChem CID6453411
Molecular FormulaC5H12N6
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Name(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide
SMILES[H]/N=C(\N(C)C)[N+](=C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H12N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1H2,2-4H3;/q+1;-1/b6-5-;
InChIKeyHFSYUFOZUAJWDE-YSMBQZINSA-N
XLogP0.69
TPSA88.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide?
The IUPAC name of (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide (CID 6453411) is (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide.
What is the SMILES notation for (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide?
The canonical SMILES for (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide is [H]/N=C(\N(C)C)[N+](=C)C.[N-]=[N+]=[N-].
What is the InChIKey of (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide?
The InChIKey is HFSYUFOZUAJWDE-YSMBQZINSA-N. The full InChI is InChI=1S/C5H12N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1H2,2-4H3;/q+1;-1/b6-5-;.
What are the key properties of (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide?
(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide has a molecular weight of 156.19 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide is sourced from PubChem (CID 6453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).