5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide

C10H17N5O — CID 104982379

IUPAC5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N[C@H]2CCCNC2)n[nH]1
InChIInChI=1S/C10H17N5O/c1-2-8-13-9(15-14-8)10(16)12-7-4-3-5-11-6-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15)/t7-/m0/s1
InChIKeyFEXQESLNNHLHJW-ZETCQYMHSA-N
MW223.28 g/mol
LogP-0.15
Rot. Bonds3

About 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 104982379) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID104982379
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N[C@H]2CCCNC2)n[nH]1
InChIInChI=1S/C10H17N5O/c1-2-8-13-9(15-14-8)10(16)12-7-4-3-5-11-6-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15)/t7-/m0/s1
InChIKeyFEXQESLNNHLHJW-ZETCQYMHSA-N
XLogP-0.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide (CID 104982379) is 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)N[C@H]2CCCNC2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is FEXQESLNNHLHJW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-8-13-9(15-14-8)10(16)12-7-4-3-5-11-6-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,14,15)/t7-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 104982379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).