N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide

C12H22N6O — CID 71877028

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C)CC1C
InChIInChI=1S/C12H22N6O/c1-4-17-9-14-15-11(17)7-13-12(19)18-6-5-16(3)8-10(18)2/h9-10H,4-8H2,1-3H3,(H,13,19)
InChIKeyMIYVHXGUHGLJDE-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.14
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877028) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877028
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C)CC1C
InChIInChI=1S/C12H22N6O/c1-4-17-9-14-15-11(17)7-13-12(19)18-6-5-16(3)8-10(18)2/h9-10H,4-8H2,1-3H3,(H,13,19)
InChIKeyMIYVHXGUHGLJDE-UHFFFAOYSA-N
XLogP0.14
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide (CID 71877028) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(C)CC1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is MIYVHXGUHGLJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-17-9-14-15-11(17)7-13-12(19)18-6-5-16(3)8-10(18)2/h9-10H,4-8H2,1-3H3,(H,13,19).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).