N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide

C7H11N5O — CID 135789116

IUPACN,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide
SMILESCc1nnc(/N=C/N(C)C)[nH]c1=O
InChIInChI=1S/C7H11N5O/c1-5-6(13)9-7(11-10-5)8-4-12(2)3/h4H,1-3H3,(H,9,11,13)/b8-4+
InChIKeyVDNHGYFKHVBWOS-XBXARRHUSA-N
MW181.20 g/mol
LogP-0.31
Rot. Bonds2

About N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide

N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide (PubChem CID 135789116) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide
PubChem CID135789116
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide
SMILESCc1nnc(/N=C/N(C)C)[nH]c1=O
InChIInChI=1S/C7H11N5O/c1-5-6(13)9-7(11-10-5)8-4-12(2)3/h4H,1-3H3,(H,9,11,13)/b8-4+
InChIKeyVDNHGYFKHVBWOS-XBXARRHUSA-N
XLogP-0.31
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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 N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide (CID 135789116) is N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide is Cc1nnc(/N=C/N(C)C)[nH]c1=O.
What is the InChIKey of N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide?
The InChIKey is VDNHGYFKHVBWOS-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N5O/c1-5-6(13)9-7(11-10-5)8-4-12(2)3/h4H,1-3H3,(H,9,11,13)/b8-4+.
What are the key properties of N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide?
N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide has a molecular weight of 181.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide is sourced from PubChem (CID 135789116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).