N-(1-methyltriazol-4-yl)propanamide

C6H10N4O — CID 112535352

IUPACN-(1-methyltriazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nn1
InChIInChI=1S/C6H10N4O/c1-3-6(11)7-5-4-10(2)9-8-5/h4H,3H2,1-2H3,(H,7,11)
InChIKeyAZQFGFPYEVORON-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.16
Rot. Bonds2

About N-(1-methyltriazol-4-yl)propanamide

N-(1-methyltriazol-4-yl)propanamide (PubChem CID 112535352) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(1-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyltriazol-4-yl)propanamide
PubChem CID112535352
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(1-methyltriazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nn1
InChIInChI=1S/C6H10N4O/c1-3-6(11)7-5-4-10(2)9-8-5/h4H,3H2,1-2H3,(H,7,11)
InChIKeyAZQFGFPYEVORON-UHFFFAOYSA-N
XLogP0.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltriazol-4-yl)propanamide?
The IUPAC name of N-(1-methyltriazol-4-yl)propanamide (CID 112535352) is N-(1-methyltriazol-4-yl)propanamide.
What is the SMILES notation for N-(1-methyltriazol-4-yl)propanamide?
The canonical SMILES for N-(1-methyltriazol-4-yl)propanamide is CCC(=O)Nc1cn(C)nn1.
What is the InChIKey of N-(1-methyltriazol-4-yl)propanamide?
The InChIKey is AZQFGFPYEVORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-6(11)7-5-4-10(2)9-8-5/h4H,3H2,1-2H3,(H,7,11).
What are the key properties of N-(1-methyltriazol-4-yl)propanamide?
N-(1-methyltriazol-4-yl)propanamide has a molecular weight of 154.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 112535352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).