5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine

C16H14N6O — CID 7514744

IUPAC5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1ccc(/C=N\Nc2nnc3c4ccccc4n(C)c3n2)o1
InChIInChI=1S/C16H14N6O/c1-10-7-8-11(23-10)9-17-20-16-18-15-14(19-21-16)12-5-3-4-6-13(12)22(15)2/h3-9H,1-2H3,(H,18,20,21)/b17-9-
InChIKeyDOLIGNHMQPDILZ-MFOYZWKCSA-N
MW306.33 g/mol
LogP2.86
Rot. Bonds3

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

5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 7514744) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID7514744
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1ccc(/C=N\Nc2nnc3c4ccccc4n(C)c3n2)o1
InChIInChI=1S/C16H14N6O/c1-10-7-8-11(23-10)9-17-20-16-18-15-14(19-21-16)12-5-3-4-6-13(12)22(15)2/h3-9H,1-2H3,(H,18,20,21)/b17-9-
InChIKeyDOLIGNHMQPDILZ-MFOYZWKCSA-N
XLogP2.86
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine with MolForge

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Related Compounds

5-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 45037539
5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412700
2-chloro-3-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 45037627
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 129438396
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 7237453
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6845572
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265171
N-[(E)-benzylideneamino]-8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 19163831
5-hexyl-N-[(E)-(4-methylphenyl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265403
N-[(Z)-(2,2-dimethylchromen-6-yl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 10022906
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265598
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 53265254

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine (CID 7514744) is 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine is Cc1ccc(/C=N\Nc2nnc3c4ccccc4n(C)c3n2)o1.
What is the InChIKey of 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is DOLIGNHMQPDILZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10-7-8-11(23-10)9-17-20-16-18-15-14(19-21-16)12-5-3-4-6-13(12)22(15)2/h3-9H,1-2H3,(H,18,20,21)/b17-9-.
What are the key properties of 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 306.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 7514744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).