N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide

C8H12N4O2 — CID 175118443

IUPACN-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide
SMILESCCC(=O)N(c1ncncn1)C(C)O
InChIInChI=1S/C8H12N4O2/c1-3-7(14)12(6(2)13)8-10-4-9-5-11-8/h4-6,13H,3H2,1-2H3
InChIKeyAKEMQAKJFBGQBA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds3

About N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide

N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide (PubChem CID 175118443) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide
PubChem CID175118443
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide
SMILESCCC(=O)N(c1ncncn1)C(C)O
InChIInChI=1S/C8H12N4O2/c1-3-7(14)12(6(2)13)8-10-4-9-5-11-8/h4-6,13H,3H2,1-2H3
InChIKeyAKEMQAKJFBGQBA-UHFFFAOYSA-N
XLogP-0.05
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide?
The IUPAC name of N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide (CID 175118443) is N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide is CCC(=O)N(c1ncncn1)C(C)O.
What is the InChIKey of N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide?
The InChIKey is AKEMQAKJFBGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-7(14)12(6(2)13)8-10-4-9-5-11-8/h4-6,13H,3H2,1-2H3.
What are the key properties of N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide?
N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-(1,3,5-triazin-2-yl)propanamide is sourced from PubChem (CID 175118443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).