N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide

C7H11ClN6O — CID 174380953

IUPACN-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCN(C)Nc1nc(Cl)nc(N(C)C=O)n1
InChIInChI=1S/C7H11ClN6O/c1-13(2)12-6-9-5(8)10-7(11-6)14(3)4-15/h4H,1-3H3,(H,9,10,11,12)
InChIKeyBXSXMFTUJWINMQ-UHFFFAOYSA-N
MW230.66 g/mol
LogP0.01
Rot. Bonds4

About N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide

N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide (PubChem CID 174380953) has the molecular formula C7H11ClN6O and a molecular weight of 230.66 g/mol. Its IUPAC name is N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide
PubChem CID174380953
Molecular FormulaC7H11ClN6O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC NameN-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCN(C)Nc1nc(Cl)nc(N(C)C=O)n1
InChIInChI=1S/C7H11ClN6O/c1-13(2)12-6-9-5(8)10-7(11-6)14(3)4-15/h4H,1-3H3,(H,9,10,11,12)
InChIKeyBXSXMFTUJWINMQ-UHFFFAOYSA-N
XLogP0.01
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83019468
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 79557079
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 63549392
CID 18343810
CID 18343810

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide?
The IUPAC name of N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide (CID 174380953) is N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide.
What is the SMILES notation for N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide?
The canonical SMILES for N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide is CN(C)Nc1nc(Cl)nc(N(C)C=O)n1.
What is the InChIKey of N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide?
The InChIKey is BXSXMFTUJWINMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6O/c1-13(2)12-6-9-5(8)10-7(11-6)14(3)4-15/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide?
N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide has a molecular weight of 230.66 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(2,2-dimethylhydrazinyl)-1,3,5-triazin-2-yl]-N-methylformamide is sourced from PubChem (CID 174380953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).