N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide

C8H12N4O — CID 130626359

IUPACN-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1(NC(=O)Cn2cncn2)CC1
InChIInChI=1S/C8H12N4O/c1-8(2-3-8)11-7(13)4-12-6-9-5-10-12/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyDHEFYAMLZURGOA-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.05
Rot. Bonds3

About N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 130626359) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID130626359
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC1(NC(=O)Cn2cncn2)CC1
InChIInChI=1S/C8H12N4O/c1-8(2-3-8)11-7(13)4-12-6-9-5-10-12/h5-6H,2-4H2,1H3,(H,11,13)
InChIKeyDHEFYAMLZURGOA-UHFFFAOYSA-N
XLogP-0.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 130626359) is N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide is CC1(NC(=O)Cn2cncn2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is DHEFYAMLZURGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-8(2-3-8)11-7(13)4-12-6-9-5-10-12/h5-6H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 130626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).