N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide

C8H14N4O2 — CID 43419335

IUPACN-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14)
InChIKeyCGKITOSJEWUKRN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.83
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide

N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 43419335) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID43419335
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESCC(CO)NC(=O)CCn1ccnn1
InChIInChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14)
InChIKeyCGKITOSJEWUKRN-UHFFFAOYSA-N
XLogP-0.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide (CID 43419335) is N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide is CC(CO)NC(=O)CCn1ccnn1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is CGKITOSJEWUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-7(6-13)10-8(14)2-4-12-5-3-9-11-12/h3,5,7,13H,2,4,6H2,1H3,(H,10,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43419335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).