N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide

C10H15N5O3 — CID 43410544

IUPACN-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide
SMILESCn1nc(NCC(=O)NC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N5O3/c1-14-9(17)8(13-15(2)10(14)18)11-5-7(16)12-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,13)(H,12,16)
InChIKeyNXBIMERDKAGYPV-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.83
Rot. Bonds4

About N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide

N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide (PubChem CID 43410544) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide
PubChem CID43410544
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide
SMILESCn1nc(NCC(=O)NC2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N5O3/c1-14-9(17)8(13-15(2)10(14)18)11-5-7(16)12-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,13)(H,12,16)
InChIKeyNXBIMERDKAGYPV-UHFFFAOYSA-N
XLogP-1.83
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide (CID 43410544) is N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide is Cn1nc(NCC(=O)NC2CC2)c(=O)n(C)c1=O.
What is the InChIKey of N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide?
The InChIKey is NXBIMERDKAGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14-9(17)8(13-15(2)10(14)18)11-5-7(16)12-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,13)(H,12,16).
What are the key properties of N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide?
N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide has a molecular weight of 253.26 g/mol, XLogP of -1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide is sourced from PubChem (CID 43410544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).