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

C12H19N7O2 — CID 66192863

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CNCC(C)C)nn2)o1
InChIInChI=1S/C12H19N7O2/c1-8(2)4-13-5-10-6-19(18-16-10)7-11(20)14-12-17-15-9(3)21-12/h6,8,13H,4-5,7H2,1-3H3,(H,14,17,20)
InChIKeyXDNBLKYVRBPMBO-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.35
Rot. Bonds7

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

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66192863) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
PubChem CID66192863
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(CNCC(C)C)nn2)o1
InChIInChI=1S/C12H19N7O2/c1-8(2)4-13-5-10-6-19(18-16-10)7-11(20)14-12-17-15-9(3)21-12/h6,8,13H,4-5,7H2,1-3H3,(H,14,17,20)
InChIKeyXDNBLKYVRBPMBO-UHFFFAOYSA-N
XLogP0.35
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.35
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-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide (CID 66192863) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide is Cc1nnc(NC(=O)Cn2cc(CNCC(C)C)nn2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is XDNBLKYVRBPMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-8(2)4-13-5-10-6-19(18-16-10)7-11(20)14-12-17-15-9(3)21-12/h6,8,13H,4-5,7H2,1-3H3,(H,14,17,20).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 0.35, 7 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-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66192863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).