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

C11H17N7O2 — CID 66192976

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CNC(C)C)nn2)o1
InChIInChI=1S/C11H17N7O2/c1-7(2)12-4-9-5-18(17-15-9)6-10(19)13-11-16-14-8(3)20-11/h5,7,12H,4,6H2,1-3H3,(H,13,16,19)
InChIKeyTZOPNRWOQTUXME-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.11
Rot. Bonds6

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

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66192976) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
PubChem CID66192976
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CNC(C)C)nn2)o1
InChIInChI=1S/C11H17N7O2/c1-7(2)12-4-9-5-18(17-15-9)6-10(19)13-11-16-14-8(3)20-11/h5,7,12H,4,6H2,1-3H3,(H,13,16,19)
InChIKeyTZOPNRWOQTUXME-UHFFFAOYSA-N
XLogP0.11
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (CID 66192976) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is Cc1nnc(NC(=O)Cn2cc(CNC(C)C)nn2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is TZOPNRWOQTUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-7(2)12-4-9-5-18(17-15-9)6-10(19)13-11-16-14-8(3)20-11/h5,7,12H,4,6H2,1-3H3,(H,13,16,19).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66192976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).