N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide

C8H14N4O3 — CID 65312280

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC(CO)CO
InChIInChI=1S/C8H14N4O3/c13-5-7(6-14)10-8(15)1-3-12-4-2-9-11-12/h2,4,7,13-14H,1,3,5-6H2,(H,10,15)
InChIKeyBYYOWVMBIOAJOP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.86
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide

N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 65312280) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID65312280
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NC(CO)CO
InChIInChI=1S/C8H14N4O3/c13-5-7(6-14)10-8(15)1-3-12-4-2-9-11-12/h2,4,7,13-14H,1,3,5-6H2,(H,10,15)
InChIKeyBYYOWVMBIOAJOP-UHFFFAOYSA-N
XLogP-1.86
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide (CID 65312280) is N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is BYYOWVMBIOAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c13-5-7(6-14)10-8(15)1-3-12-4-2-9-11-12/h2,4,7,13-14H,1,3,5-6H2,(H,10,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide?
N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 214.22 g/mol, XLogP of -1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 65312280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).