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

C17H14N6 — CID 6414497

IUPACN-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc2c1[nH]c1nc(N/N=C\c3ccccc3)nnc12
InChIInChI=1S/C17H14N6/c1-11-6-5-9-13-14(11)19-16-15(13)21-23-17(20-16)22-18-10-12-7-3-2-4-8-12/h2-10H,1H3,(H2,19,20,22,23)/b18-10-
InChIKeyGPJPAODGHHGKAV-ZDLGFXPLSA-N
MW302.34 g/mol
LogP3.26
Rot. Bonds3

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

N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6414497) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6414497
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc2c1[nH]c1nc(N/N=C\c3ccccc3)nnc12
InChIInChI=1S/C17H14N6/c1-11-6-5-9-13-14(11)19-16-15(13)21-23-17(20-16)22-18-10-12-7-3-2-4-8-12/h2-10H,1H3,(H2,19,20,22,23)/b18-10-
InChIKeyGPJPAODGHHGKAV-ZDLGFXPLSA-N
XLogP3.26
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.26
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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Related Compounds

4-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135446615
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6416330
6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6842153
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 22304514
N-[(Z)-1H-indol-3-ylmethylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 135470795
1,5-dimethyl-4-[[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-2-phenylpyrazol-3-one
CID 6823675
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412333
2-bromo-6-methoxy-4-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135446616
4-[(E)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135404069
2-methoxy-6-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 136732755
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6848274
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6413043

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6414497) is N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Cc1cccc2c1[nH]c1nc(N/N=C\c3ccccc3)nnc12.
What is the InChIKey of N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is GPJPAODGHHGKAV-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H14N6/c1-11-6-5-9-13-14(11)19-16-15(13)21-23-17(20-16)22-18-10-12-7-3-2-4-8-12/h2-10H,1H3,(H2,19,20,22,23)/b18-10-.
What are the key properties of N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 302.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6414497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).