N-propan-2-yl-2-(triazol-1-yl)acetamide

C7H12N4O — CID 79807214

IUPACN-propan-2-yl-2-(triazol-1-yl)acetamide
SMILESCC(C)NC(=O)Cn1ccnn1
InChIInChI=1S/C7H12N4O/c1-6(2)9-7(12)5-11-4-3-8-10-11/h3-4,6H,5H2,1-2H3,(H,9,12)
InChIKeyMKSHRKIBMHXNOF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.20
Rot. Bonds3

About N-propan-2-yl-2-(triazol-1-yl)acetamide

N-propan-2-yl-2-(triazol-1-yl)acetamide (PubChem CID 79807214) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-propan-2-yl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(triazol-1-yl)acetamide
PubChem CID79807214
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-propan-2-yl-2-(triazol-1-yl)acetamide
SMILESCC(C)NC(=O)Cn1ccnn1
InChIInChI=1S/C7H12N4O/c1-6(2)9-7(12)5-11-4-3-8-10-11/h3-4,6H,5H2,1-2H3,(H,9,12)
InChIKeyMKSHRKIBMHXNOF-UHFFFAOYSA-N
XLogP-0.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 104981673
N-[(2R)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 103920026
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
(2S)-3,3-dimethyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 115348128
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
CID 124608281
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(triazol-1-yl)acetamide
CID 97331218
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-2-(triazol-1-yl)acetamide
CID 118785667
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(triazol-1-yl)acetamide (CID 79807214) is N-propan-2-yl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(triazol-1-yl)acetamide is CC(C)NC(=O)Cn1ccnn1.
What is the InChIKey of N-propan-2-yl-2-(triazol-1-yl)acetamide?
The InChIKey is MKSHRKIBMHXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6(2)9-7(12)5-11-4-3-8-10-11/h3-4,6H,5H2,1-2H3,(H,9,12).
What are the key properties of N-propan-2-yl-2-(triazol-1-yl)acetamide?
N-propan-2-yl-2-(triazol-1-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 79807214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).