1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

C14H23N7 — CID 102798724

IUPAC1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCCn1nc(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H23N7/c1-4-21-12(8-9(2)19-21)13-16-14(18-17-13)20-7-5-6-11(15)10(20)3/h8,10-11H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyZNZMIYQJKXRLAR-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.31
Rot. Bonds3

About 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (PubChem CID 102798724) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
PubChem CID102798724
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
SMILESCCn1nc(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H23N7/c1-4-21-12(8-9(2)19-21)13-16-14(18-17-13)20-7-5-6-11(15)10(20)3/h8,10-11H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyZNZMIYQJKXRLAR-UHFFFAOYSA-N
XLogP1.31
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine with MolForge

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Related Compounds

2-methyl-1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798801
1-[5-(1,3-dimethylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102801454
1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102810405
1-[5-(3-bromo-4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798661
1-[5-(4-bromo-3-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798815
1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798769
1-[5-(3-bromo-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798795
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
CID 102798588
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798583
1-[5-(3-chloro-4-iodophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 103219891
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798626

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The IUPAC name of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine (CID 102798724) is 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The canonical SMILES for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is CCn1nc(C)cc1-c1nc(N2CCCC(N)C2C)n[nH]1.
What is the InChIKey of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
The InChIKey is ZNZMIYQJKXRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-21-12(8-9(2)19-21)13-16-14(18-17-13)20-7-5-6-11(15)10(20)3/h8,10-11H,4-7,15H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine?
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine has a molecular weight of 289.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine is sourced from PubChem (CID 102798724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).