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

C13H21N7 — CID 102794355

IUPAC1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1cc(-c2nc(N3CCCC(N)C3)n[nH]2)n(C)n1
InChIInChI=1S/C13H21N7/c1-3-10-7-11(19(2)18-10)12-15-13(17-16-12)20-6-4-5-9(14)8-20/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyCWMWAXXQFBSJSJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.70
Rot. Bonds3

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

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794355) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794355
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1cc(-c2nc(N3CCCC(N)C3)n[nH]2)n(C)n1
InChIInChI=1S/C13H21N7/c1-3-10-7-11(19(2)18-10)12-15-13(17-16-12)20-6-4-5-9(14)8-20/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyCWMWAXXQFBSJSJ-UHFFFAOYSA-N
XLogP0.70
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797380
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794421
1-[5-(4,5-dibromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794364
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794246
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794186
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794355) is 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CCc1cc(-c2nc(N3CCCC(N)C3)n[nH]2)n(C)n1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is CWMWAXXQFBSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-3-10-7-11(19(2)18-10)12-15-13(17-16-12)20-6-4-5-9(14)8-20/h7,9H,3-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 275.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).