2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide

C8H14N4O — CID 112535392

IUPAC2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C8H14N4O/c1-8(2,3)7(13)9-6-5-12(4)11-10-6/h5H,1-4H3,(H,9,13)
InChIKeyPMQGDVCSXMODSH-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.80
Rot. Bonds1

About 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide

2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide (PubChem CID 112535392) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide
PubChem CID112535392
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C8H14N4O/c1-8(2,3)7(13)9-6-5-12(4)11-10-6/h5H,1-4H3,(H,9,13)
InChIKeyPMQGDVCSXMODSH-UHFFFAOYSA-N
XLogP0.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide (CID 112535392) is 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide is Cn1cc(NC(=O)C(C)(C)C)nn1.
What is the InChIKey of 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide?
The InChIKey is PMQGDVCSXMODSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)7(13)9-6-5-12(4)11-10-6/h5H,1-4H3,(H,9,13).
What are the key properties of 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide?
2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 112535392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).