2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H24N8 — CID 68840389

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cc(Nc2nc(N3CCC(N)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H24N8/c1-11(2)13-10-15(22-21-13)19-16-14-4-3-7-25(14)23-17(20-16)24-8-5-12(18)6-9-24/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyNJAMVQUTEXLIMT-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 68840389) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID68840389
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cc(Nc2nc(N3CCC(N)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H24N8/c1-11(2)13-10-15(22-21-13)19-16-14-4-3-7-25(14)23-17(20-16)24-8-5-12(18)6-9-24/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyNJAMVQUTEXLIMT-UHFFFAOYSA-N
XLogP2.25
TPSA100.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 68840389) is 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)c1cc(Nc2nc(N3CCC(N)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NJAMVQUTEXLIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-11(2)13-10-15(22-21-13)19-16-14-4-3-7-25(14)23-17(20-16)24-8-5-12(18)6-9-24/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 340.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 68840389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).