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

C10H16N4O2 — CID 69061739

IUPACethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-2-16-10(15)14-5-3-8(4-6-14)9-11-7-12-13-9/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyQJOCNOWPEDTELT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.14
Rot. Bonds2

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

ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate (PubChem CID 69061739) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
PubChem CID69061739
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-2-16-10(15)14-5-3-8(4-6-14)9-11-7-12-13-9/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyQJOCNOWPEDTELT-UHFFFAOYSA-N
XLogP1.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate (CID 69061739) is ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
The InChIKey is QJOCNOWPEDTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-16-10(15)14-5-3-8(4-6-14)9-11-7-12-13-9/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate?
ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69061739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).