N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C20H14N12 — CID 6415570

IUPACN-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC(/C=N\Nc1nnc2c(n1)[nH]c1ccccc12)=N/Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C20H14N12/c1-3-7-13-11(5-1)15-17(23-13)25-19(31-27-15)29-21-9-10-22-30-20-26-18-16(28-32-20)12-6-2-4-8-14(12)24-18/h1-10H,(H2,23,25,29,31)(H2,24,26,30,32)/b21-9-,22-10-
InChIKeyDCNOMOADPNPFCU-KGIZCEIGSA-N
MW422.42 g/mol
LogP2.82
Rot. Bonds5

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

N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6415570) has the molecular formula C20H14N12 and a molecular weight of 422.42 g/mol. Its IUPAC name is N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6415570
Molecular FormulaC20H14N12
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC NameN-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC(/C=N\Nc1nnc2c(n1)[nH]c1ccccc12)=N/Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C20H14N12/c1-3-7-13-11(5-1)15-17(23-13)25-19(31-27-15)29-21-9-10-22-30-20-26-18-16(28-32-20)12-6-2-4-8-14(12)24-18/h1-10H,(H2,23,25,29,31)(H2,24,26,30,32)/b21-9-,22-10-
InChIKeyDCNOMOADPNPFCU-KGIZCEIGSA-N
XLogP2.82
TPSA157.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine with MolForge

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Related Compounds

N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6614471
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 146109586
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6409984
N-[(Z)-(4-ethylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410874
N-[(3-bromophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6791794
1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol
CID 6800682
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6409997
4-[(Z)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]benzoate
CID 7290221
N-(1-phenylpropan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6754175
N-[(2,3,4-trimethoxyphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6802187
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412858
N-[(Z)-(1-propan-2-ylindol-3-yl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412919

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6415570) is N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is C(/C=N\Nc1nnc2c(n1)[nH]c1ccccc12)=N/Nc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is DCNOMOADPNPFCU-KGIZCEIGSA-N. The full InChI is InChI=1S/C20H14N12/c1-3-7-13-11(5-1)15-17(23-13)25-19(31-27-15)29-21-9-10-22-30-20-26-18-16(28-32-20)12-6-2-4-8-14(12)24-18/h1-10H,(H2,23,25,29,31)(H2,24,26,30,32)/b21-9-,22-10-.
What are the key properties of N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 422.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2Z)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)ethylidene]amino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6415570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).