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

C7H12N4O — CID 3236314

IUPACN-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCNC(=O)Cc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-2-3-8-7(12)4-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyVSOGHFVYNCWZGO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.13
Rot. Bonds4

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

N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 3236314) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID3236314
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCCCNC(=O)Cc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-2-3-8-7(12)4-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyVSOGHFVYNCWZGO-UHFFFAOYSA-N
XLogP-0.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 3236314) is N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide is CCCNC(=O)Cc1ncn[nH]1.
What is the InChIKey of N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is VSOGHFVYNCWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-8-7(12)4-6-9-5-10-11-6/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11).
What are the key properties of N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 3236314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).