N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide

C8H14N4O2 — CID 43419307

IUPACN-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14)
InChIKeyKRFKNZAIGVVWNY-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.66
Rot. Bonds4

About N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43419307) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43419307
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14)
InChIKeyKRFKNZAIGVVWNY-UHFFFAOYSA-N
XLogP-0.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43419307) is N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(O)CNC(=O)C(C)n1cncn1.
What is the InChIKey of N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KRFKNZAIGVVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(13)3-10-8(14)7(2)12-5-9-4-11-12/h4-7,13H,3H2,1-2H3,(H,10,14).
What are the key properties of N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43419307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).