N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C16H10Cl2N6 — CID 6409997

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESClc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1
InChIInChI=1S/C16H10Cl2N6/c17-10-6-5-9(12(18)7-10)8-19-23-16-21-15-14(22-24-16)11-3-1-2-4-13(11)20-15/h1-8H,(H2,20,21,23,24)/b19-8-
InChIKeyMRPRHUKQPQVHEP-UWVJOHFNSA-N
MW357.20 g/mol
LogP4.26
Rot. Bonds3

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6409997) has the molecular formula C16H10Cl2N6 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6409997
Molecular FormulaC16H10Cl2N6
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESClc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1
InChIInChI=1S/C16H10Cl2N6/c17-10-6-5-9(12(18)7-10)8-19-23-16-21-15-14(22-24-16)11-3-1-2-4-13(11)20-15/h1-8H,(H2,20,21,23,24)/b19-8-
InChIKeyMRPRHUKQPQVHEP-UWVJOHFNSA-N
XLogP4.26
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6409997) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Clc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is MRPRHUKQPQVHEP-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H10Cl2N6/c17-10-6-5-9(12(18)7-10)8-19-23-16-21-15-14(22-24-16)11-3-1-2-4-13(11)20-15/h1-8H,(H2,20,21,23,24)/b19-8-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 357.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6409997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).