N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C14H18N8 — CID 53319638

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3)nn3cccc23)n[nH]1
InChIInChI=1S/C14H18N8/c1-10-9-12(19-18-10)16-13-11-3-2-6-22(11)20-14(17-13)21-7-4-15-5-8-21/h2-3,6,9,15H,4-5,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyORCXWVGSUSIELN-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.91
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 53319638) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID53319638
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(Nc2nc(N3CCNCC3)nn3cccc23)n[nH]1
InChIInChI=1S/C14H18N8/c1-10-9-12(19-18-10)16-13-11-3-2-6-22(11)20-14(17-13)21-7-4-15-5-8-21/h2-3,6,9,15H,4-5,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyORCXWVGSUSIELN-UHFFFAOYSA-N
XLogP0.91
TPSA86.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 53319638) is N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc(Nc2nc(N3CCNCC3)nn3cccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ORCXWVGSUSIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-10-9-12(19-18-10)16-13-11-3-2-6-22(11)20-14(17-13)21-7-4-15-5-8-21/h2-3,6,9,15H,4-5,7-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 53319638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).