N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C20H20N6 — CID 6795361

IUPACN-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCC(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20N6/c1-12(2)14-8-10-15(11-9-14)13(3)23-25-20-22-19-18(24-26-20)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3,(H2,21,22,25,26)
InChIKeyFHSCPCPBEVZFNJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6795361) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6795361
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCC(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20N6/c1-12(2)14-8-10-15(11-9-14)13(3)23-25-20-22-19-18(24-26-20)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3,(H2,21,22,25,26)
InChIKeyFHSCPCPBEVZFNJ-UHFFFAOYSA-N
XLogP4.47
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.47
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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Related Compounds

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 19577572
N-(1-phenylpropan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6754175
1-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)hexane-2,3,4,5-tetrol
CID 6800682
N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6794363
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
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6409984
4-[(Z)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]benzoate
CID 7290221
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6409997
N-[(Z)-(1-propan-2-ylindol-3-yl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412919
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 146109586
N-[(Z)-(4-ethylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410874
2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide
CID 6416691

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6795361) is N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is CC(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is FHSCPCPBEVZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12(2)14-8-10-15(11-9-14)13(3)23-25-20-22-19-18(24-26-20)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3,(H2,21,22,25,26).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 344.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).