1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide

C16H21F3N6O — CID 130363017

IUPAC1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)c3c(N)ncnn23)C1
InChIInChI=1S/C16H21F3N6O/c1-9(2)23-15(26)10-4-3-5-24(7-10)12-6-11(16(17,18)19)13-14(20)21-8-22-25(12)13/h6,8-10H,3-5,7H2,1-2H3,(H,23,26)(H2,20,21,22)
InChIKeyKDTZUEVHEWXGJO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide

1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 130363017) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID130363017
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)c3c(N)ncnn23)C1
InChIInChI=1S/C16H21F3N6O/c1-9(2)23-15(26)10-4-3-5-24(7-10)12-6-11(16(17,18)19)13-14(20)21-8-22-25(12)13/h6,8-10H,3-5,7H2,1-2H3,(H,23,26)(H2,20,21,22)
InChIKeyKDTZUEVHEWXGJO-UHFFFAOYSA-N
XLogP2.07
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 130363017) is 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(c2cc(C(F)(F)F)c3c(N)ncnn23)C1.
What is the InChIKey of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is KDTZUEVHEWXGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-9(2)23-15(26)10-4-3-5-24(7-10)12-6-11(16(17,18)19)13-14(20)21-8-22-25(12)13/h6,8-10H,3-5,7H2,1-2H3,(H,23,26)(H2,20,21,22).
What are the key properties of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide?
1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 130363017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).