N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide

C8H12N4O2 — CID 115877790

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1(CO)CC1
InChIInChI=1S/C8H12N4O2/c13-6-8(1-2-8)10-7(14)5-12-4-3-9-11-12/h3-4,13H,1-2,5-6H2,(H,10,14)
InChIKeyWWCQEDTTZRVWND-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.08
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide (PubChem CID 115877790) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
PubChem CID115877790
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NC1(CO)CC1
InChIInChI=1S/C8H12N4O2/c13-6-8(1-2-8)10-7(14)5-12-4-3-9-11-12/h3-4,13H,1-2,5-6H2,(H,10,14)
InChIKeyWWCQEDTTZRVWND-UHFFFAOYSA-N
XLogP-1.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-(triazol-1-yl)propanamide
CID 43419284
N-(1-hydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
CID 43419335
N-(1-hydroxy-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
CID 43500504
2-Methyl-2-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 61262247
N-[3-(hydroxymethyl)pentan-3-yl]-3-(triazol-1-yl)propanamide
CID 62519178
N-(1-hydroxy-2-methylbutan-2-yl)-3-(triazol-1-yl)propanamide
CID 64557188
N-(1,3-dihydroxypropan-2-yl)-3-(triazol-1-yl)propanamide
CID 65312280
N-[(2S)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide
CID 65806665
N-[(2R)-1-hydroxypropan-2-yl]-3-(triazol-1-yl)propanamide
CID 79031643
N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide
CID 80700829
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(triazol-1-yl)acetamide
CID 80716454
N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
CID 81448502

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide (CID 115877790) is N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide?
The InChIKey is WWCQEDTTZRVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-6-8(1-2-8)10-7(14)5-12-4-3-9-11-12/h3-4,13H,1-2,5-6H2,(H,10,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide has a molecular weight of 196.21 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 115877790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).