N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine

C12H23N5 — CID 113260212

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCCn1cnnc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H23N5/c1-4-17-9-14-15-12(17)8-13-11-5-6-16(3)10(2)7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyKNEZPDMFAAGYLY-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 113260212) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID113260212
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCCn1cnnc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H23N5/c1-4-17-9-14-15-12(17)8-13-11-5-6-16(3)10(2)7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyKNEZPDMFAAGYLY-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
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]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine (CID 113260212) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine is CCn1cnnc1CNC1CCN(C)C(C)C1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is KNEZPDMFAAGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-17-9-14-15-12(17)8-13-11-5-6-16(3)10(2)7-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 0.87, 4 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]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 113260212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).