2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C8H11N7O2 — CID 62054662

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CN)nn2)o1
InChIInChI=1S/C8H11N7O2/c1-5-11-13-8(17-5)10-7(16)4-15-3-6(2-9)12-14-15/h3H,2,4,9H2,1H3,(H,10,13,16)
InChIKeyWVKIHIHYUXCMAU-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.93
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 62054662) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID62054662
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CN)nn2)o1
InChIInChI=1S/C8H11N7O2/c1-5-11-13-8(17-5)10-7(16)4-15-3-6(2-9)12-14-15/h3H,2,4,9H2,1H3,(H,10,13,16)
InChIKeyWVKIHIHYUXCMAU-UHFFFAOYSA-N
XLogP-0.93
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 62054662) is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2cc(CN)nn2)o1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WVKIHIHYUXCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c1-5-11-13-8(17-5)10-7(16)4-15-3-6(2-9)12-14-15/h3H,2,4,9H2,1H3,(H,10,13,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 237.22 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 62054662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).