N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C19H18N6O — CID 6794363

IUPACN-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCOc1ccc(C(C)=NNc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1
InChIInChI=1S/C19H18N6O/c1-11-4-9-16-15(10-11)17-18(20-16)21-19(25-23-17)24-22-12(2)13-5-7-14(26-3)8-6-13/h4-10H,1-3H3,(H2,20,21,24,25)
InChIKeyMJRZNQAETQCAIF-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine

N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6794363) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6794363
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCOc1ccc(C(C)=NNc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1
InChIInChI=1S/C19H18N6O/c1-11-4-9-16-15(10-11)17-18(20-16)21-19(25-23-17)24-22-12(2)13-5-7-14(26-3)8-6-13/h4-10H,1-3H3,(H2,20,21,24,25)
InChIKeyMJRZNQAETQCAIF-UHFFFAOYSA-N
XLogP3.66
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
2-bromo-6-methoxy-4-[[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135478562
N-[1-(4-propan-2-ylphenyl)ethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6795361
4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417050
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410929
4-bromo-2-methoxy-6-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135619843
N-[(E)-(4-fluorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265203
N-[(Z)-(4-chlorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410040
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265613
8-methyl-N-[(Z)-[(1R)-4-methylcyclohex-3-en-1-yl]methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 7675938
2-ethoxy-4-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135470801
3-ethoxy-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416835

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6794363) is N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine is COc1ccc(C(C)=NNc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is MJRZNQAETQCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-4-9-16-15(10-11)17-18(20-16)21-19(25-23-17)24-22-12(2)13-5-7-14(26-3)8-6-13/h4-10H,1-3H3,(H2,20,21,24,25).
What are the key properties of N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 346.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6794363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).