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

C9H14N4O — CID 162441611

IUPACN-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ncn[nH]1)NCC1CCC1
InChIInChI=1S/C9H14N4O/c14-9(4-8-11-6-12-13-8)10-5-7-2-1-3-7/h6-7H,1-5H2,(H,10,14)(H,11,12,13)
InChIKeyIABIQHUGZHUXCM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.26
Rot. Bonds4

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

N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 162441611) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID162441611
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ncn[nH]1)NCC1CCC1
InChIInChI=1S/C9H14N4O/c14-9(4-8-11-6-12-13-8)10-5-7-2-1-3-7/h6-7H,1-5H2,(H,10,14)(H,11,12,13)
InChIKeyIABIQHUGZHUXCM-UHFFFAOYSA-N
XLogP0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 162441611) is N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1ncn[nH]1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IABIQHUGZHUXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(4-8-11-6-12-13-8)10-5-7-2-1-3-7/h6-7H,1-5H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 162441611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).