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

C17H15N7 — CID 6842153

IUPAC6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc(C=NNc2nnc3c(n2)[nH]c2c(C)cccc23)n1
InChIInChI=1S/C17H15N7/c1-10-5-3-8-13-14(10)20-16-15(13)22-24-17(21-16)23-18-9-12-7-4-6-11(2)19-12/h3-9H,1-2H3,(H2,20,21,23,24)
InChIKeyNWODCELCAUIOAF-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.96
Rot. Bonds3

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

6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6842153) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6842153
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCc1cccc(C=NNc2nnc3c(n2)[nH]c2c(C)cccc23)n1
InChIInChI=1S/C17H15N7/c1-10-5-3-8-13-14(10)20-16-15(13)22-24-17(21-16)23-18-9-12-7-4-6-11(2)19-12/h3-9H,1-2H3,(H2,20,21,23,24)
InChIKeyNWODCELCAUIOAF-UHFFFAOYSA-N
XLogP2.96
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6842153) is 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is Cc1cccc(C=NNc2nnc3c(n2)[nH]c2c(C)cccc23)n1.
What is the InChIKey of 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is NWODCELCAUIOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-10-5-3-8-13-14(10)20-16-15(13)22-24-17(21-16)23-18-9-12-7-4-6-11(2)19-12/h3-9H,1-2H3,(H2,20,21,23,24).
What are the key properties of 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 317.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(6-methyl-2-pyridinyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6842153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).