3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

C10H16N6O2 — CID 54885337

IUPAC3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C10H16N6O2/c11-10(18)16-3-1-2-7(5-16)9(17)12-4-8-13-6-14-15-8/h6-7H,1-5H2,(H2,11,18)(H,12,17)(H,13,14,15)
InChIKeyQNGYPTMQGOGFJU-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.79
Rot. Bonds3

About 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 54885337) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID54885337
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C10H16N6O2/c11-10(18)16-3-1-2-7(5-16)9(17)12-4-8-13-6-14-15-8/h6-7H,1-5H2,(H2,11,18)(H,12,17)(H,13,14,15)
InChIKeyQNGYPTMQGOGFJU-UHFFFAOYSA-N
XLogP-0.79
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (CID 54885337) is 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is QNGYPTMQGOGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-10(18)16-3-1-2-7(5-16)9(17)12-4-8-13-6-14-15-8/h6-7H,1-5H2,(H2,11,18)(H,12,17)(H,13,14,15).
What are the key properties of 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 252.28 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 54885337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).