4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C19H25N7 — CID 171550849

IUPAC4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCC(C)/C(C)=N/c1ccc(-c2ccn3nc(N)nc(NC)c23)nc1C
InChIInChI=1S/C19H25N7/c1-6-11(2)12(3)22-15-7-8-16(23-13(15)4)14-9-10-26-17(14)18(21-5)24-19(20)25-26/h7-11H,6H2,1-5H3,(H3,20,21,24,25)/b22-12+
InChIKeySYYDQHGCPDTFPO-WSDLNYQXSA-N
MW351.46 g/mol
LogP3.86
Rot. Bonds5

About 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171550849) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171550849
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCC(C)/C(C)=N/c1ccc(-c2ccn3nc(N)nc(NC)c23)nc1C
InChIInChI=1S/C19H25N7/c1-6-11(2)12(3)22-15-7-8-16(23-13(15)4)14-9-10-26-17(14)18(21-5)24-19(20)25-26/h7-11H,6H2,1-5H3,(H3,20,21,24,25)/b22-12+
InChIKeySYYDQHGCPDTFPO-WSDLNYQXSA-N
XLogP3.86
TPSA93.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
ethane;1-ethylcyclohexan-1-ol;2-fluorobutane;5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551716
5-[5-diazenyl-6-(difluoromethylamino)-2-pyridinyl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000930
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
5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551277
5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001056
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
ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550970
2-cyclohexylpropan-2-ol;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552317
1,1-difluoropropane;2-N-[[(3R)-3-fluoro-1-methylpiperidin-4-yl]methyl]-4-N-methyl-5-[6-methyl-5-(methyldiazenyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000739
5-[3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-(3,3-difluoropiperidin-1-yl)ethanone
CID 171551584
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

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 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) is 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CCC(C)/C(C)=N/c1ccc(-c2ccn3nc(N)nc(NC)c23)nc1C.
What is the InChIKey of 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is SYYDQHGCPDTFPO-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H25N7/c1-6-11(2)12(3)22-15-7-8-16(23-13(15)4)14-9-10-26-17(14)18(21-5)24-19(20)25-26/h7-11H,6H2,1-5H3,(H3,20,21,24,25)/b22-12+.
What are the key properties of 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 351.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-[6-methyl-5-(3-methylpentan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171550849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).