(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C14H22N6 — CID 124841308

IUPAC(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C14H22N6/c1-3-20-8-6-13(18-20)10-19-7-4-5-12(9-19)14-15-11(2)16-17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyAFGUAJYEVZQTNW-LBPRGKRZSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds4

About (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 124841308) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID124841308
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCCn1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C14H22N6/c1-3-20-8-6-13(18-20)10-19-7-4-5-12(9-19)14-15-11(2)16-17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyAFGUAJYEVZQTNW-LBPRGKRZSA-N
XLogP1.71
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 124841308) is (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is CCn1ccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)n1.
What is the InChIKey of (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is AFGUAJYEVZQTNW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-20-8-6-13(18-20)10-19-7-4-5-12(9-19)14-15-11(2)16-17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
(3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 274.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 124841308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).