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

C11H13ClN6O2 — CID 80926064

IUPACN-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C11H13ClN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyCNKHMFRXPUSYCM-UHFFFAOYSA-N
MW296.72 g/mol
LogP1.57
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80926064) has the molecular formula C11H13ClN6O2 and a molecular weight of 296.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80926064
Molecular FormulaC11H13ClN6O2
Molecular Weight296.72 g/mol
Exact Mass296.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C11H13ClN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyCNKHMFRXPUSYCM-UHFFFAOYSA-N
XLogP1.57
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
6-methoxy-2-N-(2-methoxy-5-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762691
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3152649
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 17336894
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80926064) is N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is CNKHMFRXPUSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2/c1-19-8-4-3-6(12)5-7(8)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 296.72 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80926064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).