N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide

C5H8N4O — CID 20806827

IUPACN-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)CC1=NCN=N1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h2-3H2,1H3,(H,6,10)
InChIKeyPFOHWWDHMYSDDU-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.06
Rot. Bonds2

About N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide

N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide (PubChem CID 20806827) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
PubChem CID20806827
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)CC1=NCN=N1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h2-3H2,1H3,(H,6,10)
InChIKeyPFOHWWDHMYSDDU-UHFFFAOYSA-N
XLogP-0.06
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methylamino)-3-methyliminopropanamide
CID 22056440
3-amino-3-imino-N-methylpropanamide
CID 53277858
3-amino-N-methyl-3-methyliminopropanamide
CID 58823165
3-amino-N-ethyl-3-ethyliminopropanamide
CID 69979281
3-(Methyldiazenyl)-3-methyliminopropanamide
CID 129075335
3-amino-3-ethylimino-N-methylpropanamide;yttrium
CID 136008573
3-amino-N-methyl-3-methyliminopropanamide;yttrium
CID 136028669
ethane;N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
CID 157237046
3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium
CID 159236645
3-amino-3-ethylimino-N-methylpropanamide
CID 58823161
3-(1-aminoethylideneamino)-N-methylpropanamide
CID 63173413
3-(1-aminopropylideneamino)-N-methylpropanamide
CID 63177333

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide (CID 20806827) is N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide is CNC(=O)CC1=NCN=N1.
What is the InChIKey of N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PFOHWWDHMYSDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h2-3H2,1H3,(H,6,10).
What are the key properties of N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide?
N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 20806827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).