N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

C9H13N5O2 — CID 71332084

IUPACN-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1ncnc(NC(=O)CC)n1
InChIInChI=1S/C9H13N5O2/c1-3-6(15)12-8-10-5-11-9(14-8)13-7(16)4-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14,15,16)
InChIKeyORLLYROZHMSDOW-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.57
Rot. Bonds4

About N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide

N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (PubChem CID 71332084) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
PubChem CID71332084
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1ncnc(NC(=O)CC)n1
InChIInChI=1S/C9H13N5O2/c1-3-6(15)12-8-10-5-11-9(14-8)13-7(16)4-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14,15,16)
InChIKeyORLLYROZHMSDOW-UHFFFAOYSA-N
XLogP0.57
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
N-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 131154168
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 126979187
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)propanamide
CID 50940930
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide (CID 71332084) is N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1ncnc(NC(=O)CC)n1.
What is the InChIKey of N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is ORLLYROZHMSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-3-6(15)12-8-10-5-11-9(14-8)13-7(16)4-2/h5H,3-4H2,1-2H3,(H2,10,11,12,13,14,15,16).
What are the key properties of N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide?
N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 223.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 71332084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).