1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine

C10H18N4 — CID 89416665

IUPAC1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C10H18N4/c1-8(2)14-5-3-9(4-6-14)10-11-7-12-13-10/h7-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIQTADVBPJUVFHL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds2

About 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine

1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 89416665) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID89416665
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C10H18N4/c1-8(2)14-5-3-9(4-6-14)10-11-7-12-13-10/h7-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIQTADVBPJUVFHL-UHFFFAOYSA-N
XLogP1.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 89416665) is 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine is CC(C)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is IQTADVBPJUVFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)14-5-3-9(4-6-14)10-11-7-12-13-10/h7-9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine?
1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 89416665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).