N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine

C12H23N5 — CID 83021984

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1nnc(CNN2C(C)CCCC2C)n1C
InChIInChI=1S/C12H23N5/c1-9-6-5-7-10(2)17(9)13-8-12-15-14-11(3)16(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKKKPPBLVGAIISW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.39
Rot. Bonds3

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83021984) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83021984
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1nnc(CNN2C(C)CCCC2C)n1C
InChIInChI=1S/C12H23N5/c1-9-6-5-7-10(2)17(9)13-8-12-15-14-11(3)16(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyKKKPPBLVGAIISW-UHFFFAOYSA-N
XLogP1.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine (CID 83021984) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine is Cc1nnc(CNN2C(C)CCCC2C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is KKKPPBLVGAIISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-6-5-7-10(2)17(9)13-8-12-15-14-11(3)16(12)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83021984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).