4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide

C10H10ClN7O — CID 127030100

IUPAC4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN7O/c11-5-1-3-6(4-2-5)14-10-16-7(8(19)18-13)15-9(12)17-10/h1-4H,13H2,(H,18,19)(H3,12,14,15,16,17)
InChIKeyNPNZRXGXJGABLQ-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide

4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide (PubChem CID 127030100) has the molecular formula C10H10ClN7O and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide.

Molecular Properties

Compound Name4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide
PubChem CID127030100
Molecular FormulaC10H10ClN7O
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN7O/c11-5-1-3-6(4-2-5)14-10-16-7(8(19)18-13)15-9(12)17-10/h1-4H,13H2,(H,18,19)(H3,12,14,15,16,17)
InChIKeyNPNZRXGXJGABLQ-UHFFFAOYSA-N
XLogP0.45
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-O-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 22109841
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
ethyl 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate
CID 7220126
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate
CID 24562668
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
2-[4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 18226062
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7593439
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-(4-chlorophenoxy)propanoate
CID 25356785
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetohydrazide
CID 156597893
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 46821284
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide?
The IUPAC name of 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide (CID 127030100) is 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide.
What is the SMILES notation for 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide?
The canonical SMILES for 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide is NNC(=O)c1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide?
The InChIKey is NPNZRXGXJGABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN7O/c11-5-1-3-6(4-2-5)14-10-16-7(8(19)18-13)15-9(12)17-10/h1-4H,13H2,(H,18,19)(H3,12,14,15,16,17).
What are the key properties of 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide?
4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide has a molecular weight of 279.69 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloroanilino)-1,3,5-triazine-2-carbohydrazide is sourced from PubChem (CID 127030100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).