N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

C12H16N6O — CID 80916230

IUPACN-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H16N6O/c1-7-4-5-9(6-8(7)2)14-10-15-11(18-13)17-12(16-10)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWKEJPGDIWCSQPW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80916230) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80916230
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H16N6O/c1-7-4-5-9(6-8(7)2)14-10-15-11(18-13)17-12(16-10)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWKEJPGDIWCSQPW-UHFFFAOYSA-N
XLogP1.53
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80913304
[4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80916071
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
N-(2,6-difluoro-3-methylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 82822031
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
4-hydrazinyl-6-methoxy-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-amine
CID 107647301

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80916230) is N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is WKEJPGDIWCSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7-4-5-9(6-8(7)2)14-10-15-11(18-13)17-12(16-10)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80916230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).