2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide

C10H17N5O2 — CID 114118529

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide
SMILESCOC1(CNC(=O)Cn2cnc(N)n2)CCC1
InChIInChI=1S/C10H17N5O2/c1-17-10(3-2-4-10)6-12-8(16)5-15-7-13-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyMRQTVMDANRZOBI-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.45
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide (PubChem CID 114118529) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide
PubChem CID114118529
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide
SMILESCOC1(CNC(=O)Cn2cnc(N)n2)CCC1
InChIInChI=1S/C10H17N5O2/c1-17-10(3-2-4-10)6-12-8(16)5-15-7-13-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyMRQTVMDANRZOBI-UHFFFAOYSA-N
XLogP-0.45
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide (CID 114118529) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide is COC1(CNC(=O)Cn2cnc(N)n2)CCC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide?
The InChIKey is MRQTVMDANRZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-17-10(3-2-4-10)6-12-8(16)5-15-7-13-9(11)14-15/h7H,2-6H2,1H3,(H2,11,14)(H,12,16).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methoxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 114118529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).