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

C10H15N7O2 — CID 62055140

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(CN)nn2)o1
InChIInChI=1S/C10H15N7O2/c1-6(2)9-14-15-10(19-9)12-8(18)5-17-4-7(3-11)13-16-17/h4,6H,3,5,11H2,1-2H3,(H,12,15,18)
InChIKeyGQDHIVWIFAGKEP-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.12
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 62055140) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID62055140
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2cc(CN)nn2)o1
InChIInChI=1S/C10H15N7O2/c1-6(2)9-14-15-10(19-9)12-8(18)5-17-4-7(3-11)13-16-17/h4,6H,3,5,11H2,1-2H3,(H,12,15,18)
InChIKeyGQDHIVWIFAGKEP-UHFFFAOYSA-N
XLogP-0.12
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.12
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-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 62055140) is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2cc(CN)nn2)o1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is GQDHIVWIFAGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-6(2)9-14-15-10(19-9)12-8(18)5-17-4-7(3-11)13-16-17/h4,6H,3,5,11H2,1-2H3,(H,12,15,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 265.28 g/mol, XLogP of -0.12, 5 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-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 62055140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).