N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine

C4H8N6 — CID 135443564

IUPACN-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine
SMILESCN(C)/N=N/c1ncn[nH]1
InChIInChI=1S/C4H8N6/c1-10(2)9-8-4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)/b9-8+
InChIKeyAOVOZWUXCNOJPG-CMDGGOBGSA-N
MW140.15 g/mol
LogP0.37
Rot. Bonds2

About N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine

N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine (PubChem CID 135443564) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine
PubChem CID135443564
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC NameN-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine
SMILESCN(C)/N=N/c1ncn[nH]1
InChIInChI=1S/C4H8N6/c1-10(2)9-8-4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)/b9-8+
InChIKeyAOVOZWUXCNOJPG-CMDGGOBGSA-N
XLogP0.37
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine?
The IUPAC name of N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine (CID 135443564) is N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine?
The canonical SMILES for N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine is CN(C)/N=N/c1ncn[nH]1.
What is the InChIKey of N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine?
The InChIKey is AOVOZWUXCNOJPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C4H8N6/c1-10(2)9-8-4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)/b9-8+.
What are the key properties of N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine?
N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine has a molecular weight of 140.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine is sourced from PubChem (CID 135443564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).