1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C20H30N6O — CID 46396734

IUPAC1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCc1nnc(N2CCC(C(=O)NCCN3CCCC3)CC2)c2cccn12
InChIInChI=1S/C20H30N6O/c1-2-18-22-23-19(17-6-5-12-26(17)18)25-13-7-16(8-14-25)20(27)21-9-15-24-10-3-4-11-24/h5-6,12,16H,2-4,7-11,13-15H2,1H3,(H,21,27)
InChIKeyBEKZHUPOUZMSRX-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.72
Rot. Bonds6

About 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 46396734) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID46396734
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCc1nnc(N2CCC(C(=O)NCCN3CCCC3)CC2)c2cccn12
InChIInChI=1S/C20H30N6O/c1-2-18-22-23-19(17-6-5-12-26(17)18)25-13-7-16(8-14-25)20(27)21-9-15-24-10-3-4-11-24/h5-6,12,16H,2-4,7-11,13-15H2,1H3,(H,21,27)
InChIKeyBEKZHUPOUZMSRX-UHFFFAOYSA-N
XLogP1.72
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 46396734) is 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is CCc1nnc(N2CCC(C(=O)NCCN3CCCC3)CC2)c2cccn12.
What is the InChIKey of 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is BEKZHUPOUZMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-18-22-23-19(17-6-5-12-26(17)18)25-13-7-16(8-14-25)20(27)21-9-15-24-10-3-4-11-24/h5-6,12,16H,2-4,7-11,13-15H2,1H3,(H,21,27).
What are the key properties of 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46396734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).