2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C10H17N5O2 — CID 61430277

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H17N5O2/c1-14(5-8-3-2-4-17-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyCGIISVVCELELPX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.50
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61430277) 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-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61430277
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H17N5O2/c1-14(5-8-3-2-4-17-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyCGIISVVCELELPX-UHFFFAOYSA-N
XLogP-0.50
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
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-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 61430277) is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CGIISVVCELELPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(5-8-3-2-4-17-8)9(16)6-15-7-12-10(11)13-15/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 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-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61430277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).