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

C11H21N5 — CID 106302127

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
SMILESCCn1cnnc1CNC1CCCN(C)C1
InChIInChI=1S/C11H21N5/c1-3-16-9-13-14-11(16)7-12-10-5-4-6-15(2)8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyZNFXOMQHYSNSKF-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.48
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 106302127) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID106302127
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
SMILESCCn1cnnc1CNC1CCCN(C)C1
InChIInChI=1S/C11H21N5/c1-3-16-9-13-14-11(16)7-12-10-5-4-6-15(2)8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyZNFXOMQHYSNSKF-UHFFFAOYSA-N
XLogP0.48
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 103913826
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 113260212
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104573769
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
3-ethoxy-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 103920990
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
CID 103910381
1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 61004668
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 113260217

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine (CID 106302127) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine is CCn1cnnc1CNC1CCCN(C)C1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is ZNFXOMQHYSNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-16-9-13-14-11(16)7-12-10-5-4-6-15(2)8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 0.48, 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-methylpiperidin-3-amine is sourced from PubChem (CID 106302127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).