4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C21H24N8 — CID 91587131

IUPAC4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCN(Cc4ccccc4)C3)c3cccn3n2)n[nH]1
InChIInChI=1S/C21H24N8/c1-15-12-19(26-25-15)23-21-24-20(18-8-5-10-29(18)27-21)22-17-9-11-28(14-17)13-16-6-3-2-4-7-16/h2-8,10,12,17H,9,11,13-14H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyOPEVNRZCWWLYOP-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.19
Rot. Bonds6

About 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 91587131) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID91587131
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3CCN(Cc4ccccc4)C3)c3cccn3n2)n[nH]1
InChIInChI=1S/C21H24N8/c1-15-12-19(26-25-15)23-21-24-20(18-8-5-10-29(18)27-21)22-17-9-11-28(14-17)13-16-6-3-2-4-7-16/h2-8,10,12,17H,9,11,13-14H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyOPEVNRZCWWLYOP-UHFFFAOYSA-N
XLogP3.19
TPSA86.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

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N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89083182
1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol
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2-[(3S)-3-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
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(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 91587131) is 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is Cc1cc(Nc2nc(NC3CCN(Cc4ccccc4)C3)c3cccn3n2)n[nH]1.
What is the InChIKey of 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is OPEVNRZCWWLYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-15-12-19(26-25-15)23-21-24-20(18-8-5-10-29(18)27-21)22-17-9-11-28(14-17)13-16-6-3-2-4-7-16/h2-8,10,12,17H,9,11,13-14H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 388.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 91587131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).