(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine

C18H17ClN6O2 — CID 11740767

IUPAC(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
SMILESCOc1cccc(Nc2nc(Cl)nc(NC/C(=N\O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17ClN6O2/c1-27-14-9-5-8-13(10-14)21-18-23-16(19)22-17(24-18)20-11-15(25-26)12-6-3-2-4-7-12/h2-10,26H,11H2,1H3,(H2,20,21,22,23,24)/b25-15+
InChIKeyAOGYUCJNOYEPOR-MFKUBSTISA-N
MW384.83 g/mol
LogP3.57
Rot. Bonds7

About (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine

(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine (PubChem CID 11740767) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
PubChem CID11740767
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
SMILESCOc1cccc(Nc2nc(Cl)nc(NC/C(=N\O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17ClN6O2/c1-27-14-9-5-8-13(10-14)21-18-23-16(19)22-17(24-18)20-11-15(25-26)12-6-3-2-4-7-12/h2-10,26H,11H2,1H3,(H2,20,21,22,23,24)/b25-15+
InChIKeyAOGYUCJNOYEPOR-MFKUBSTISA-N
XLogP3.57
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine with MolForge

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Related Compounds

6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
methyl 3-[[4-chloro-6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-1,3,5-triazin-2-yl]amino]benzoate
CID 87338675
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine (CID 11740767) is (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine is COc1cccc(Nc2nc(Cl)nc(NC/C(=N\O)c3ccccc3)n2)c1.
What is the InChIKey of (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine?
The InChIKey is AOGYUCJNOYEPOR-MFKUBSTISA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-27-14-9-5-8-13(10-14)21-18-23-16(19)22-17(24-18)20-11-15(25-26)12-6-3-2-4-7-12/h2-10,26H,11H2,1H3,(H2,20,21,22,23,24)/b25-15+.
What are the key properties of (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine?
(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine has a molecular weight of 384.83 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 11740767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).