4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C18H24N8 — CID 178001138

IUPAC4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCNc1nc(NC)nn2ccc(-c3ccc(/N=N/C(C)C)c(C)n3)c12
InChIInChI=1S/C18H24N8/c1-6-20-17-16-13(9-10-26(16)25-18(19-5)22-17)15-8-7-14(12(4)21-15)24-23-11(2)3/h7-11H,6H2,1-5H3,(H2,19,20,22,25)/b24-23+
InChIKeyGNQQWLREFWZWLD-WCWDXBQESA-N
MW352.45 g/mol
LogP4.07
Rot. Bonds6

About 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 178001138) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID178001138
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCNc1nc(NC)nn2ccc(-c3ccc(/N=N/C(C)C)c(C)n3)c12
InChIInChI=1S/C18H24N8/c1-6-20-17-16-13(9-10-26(16)25-18(19-5)22-17)15-8-7-14(12(4)21-15)24-23-11(2)3/h7-11H,6H2,1-5H3,(H2,19,20,22,25)/b24-23+
InChIKeyGNQQWLREFWZWLD-WCWDXBQESA-N
XLogP4.07
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550849
4-[[4-(cyclopropylamino)-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol;1,1-difluoropropane;ethane
CID 178001196
1,1-difluoropropane;ethane;2-N-(2-fluoro-2-methylpropyl)-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551148
1-[3,3-difluoro-4-[[4-(methylamino)-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone;1,2-difluoropropane;ethane
CID 178001072
1,1-difluoropropane;1-ethyl-3,3-difluoropyrrolidine;4-N-methyl-5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550886
1,1-difluoropropane;4-(dimethylamino)butanal;2-N-methyl-5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551567
1,1-difluoropropane;[[2-[[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]amino]-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methanetriol
CID 178000931
2-N-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000689
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(3R,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551483
N,1-dimethyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide
CID 171550776
N-[1-methyl-3-[[4-(methylamino)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutyl]acetamide
CID 171551754
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 171552272

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 178001138) is 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CCNc1nc(NC)nn2ccc(-c3ccc(/N=N/C(C)C)c(C)n3)c12.
What is the InChIKey of 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is GNQQWLREFWZWLD-WCWDXBQESA-N. The full InChI is InChI=1S/C18H24N8/c1-6-20-17-16-13(9-10-26(16)25-18(19-5)22-17)15-8-7-14(12(4)21-15)24-23-11(2)3/h7-11H,6H2,1-5H3,(H2,19,20,22,25)/b24-23+.
What are the key properties of 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 352.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-5-[6-methyl-5-(propan-2-yldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 178001138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).