2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide

C10H13Cl2N5O — CID 81035717

IUPAC2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
SMILESNC(=O)CN(c1nc(Cl)nnc1Cl)C1CCCC1
InChIInChI=1S/C10H13Cl2N5O/c11-8-9(14-10(12)16-15-8)17(5-7(13)18)6-3-1-2-4-6/h6H,1-5H2,(H2,13,18)
InChIKeyBEWCEJPXHPKNTN-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.41
Rot. Bonds4

About 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide

2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide (PubChem CID 81035717) has the molecular formula C10H13Cl2N5O and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
PubChem CID81035717
Molecular FormulaC10H13Cl2N5O
Molecular Weight290.15 g/mol
Exact Mass289.05
IUPAC Name2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
SMILESNC(=O)CN(c1nc(Cl)nnc1Cl)C1CCCC1
InChIInChI=1S/C10H13Cl2N5O/c11-8-9(14-10(12)16-15-8)17(5-7(13)18)6-3-1-2-4-6/h6H,1-5H2,(H2,13,18)
InChIKeyBEWCEJPXHPKNTN-UHFFFAOYSA-N
XLogP1.41
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The IUPAC name of 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide (CID 81035717) is 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide is NC(=O)CN(c1nc(Cl)nnc1Cl)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
The InChIKey is BEWCEJPXHPKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N5O/c11-8-9(14-10(12)16-15-8)17(5-7(13)18)6-3-1-2-4-6/h6H,1-5H2,(H2,13,18).
What are the key properties of 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide?
2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide has a molecular weight of 290.15 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide is sourced from PubChem (CID 81035717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).