N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C14H16N10O — CID 72719811

IUPACN-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C14H16N10O/c25-13(21-14-18-8-19-22-14)10-1-3-23(4-2-10)11-5-12(17-7-16-11)24-9-15-6-20-24/h5-10H,1-4H2,(H2,18,19,21,22,25)
InChIKeyZHBCIHSACAJHMQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP0.03
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 72719811) has the molecular formula C14H16N10O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID72719811
Molecular FormulaC14H16N10O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C14H16N10O/c25-13(21-14-18-8-19-22-14)10-1-3-23(4-2-10)11-5-12(17-7-16-11)24-9-15-6-20-24/h5-10H,1-4H2,(H2,18,19,21,22,25)
InChIKeyZHBCIHSACAJHMQ-UHFFFAOYSA-N
XLogP0.03
TPSA130.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-3-carboxamide
CID 56764956
N-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxamide
CID 71805453
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(1H-1,2,4-triazol-5-yl)azetidine-3-carboxamide
CID 121018253
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 56764936
N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 72719816
1-(6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 90520119
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)piperidine-4-carboxamide
CID 90545075
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-isopropylpiperidine-4-carboxamide
CID 90600236
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-isobutylpiperidine-4-carboxamide
CID 90600237
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(sec-butyl)piperidine-4-carboxamide
CID 90600238
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-butylpiperidine-4-carboxamide
CID 90600239

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 72719811) is N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(Nc1ncn[nH]1)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZHBCIHSACAJHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N10O/c25-13(21-14-18-8-19-22-14)10-1-3-23(4-2-10)11-5-12(17-7-16-11)24-9-15-6-20-24/h5-10H,1-4H2,(H2,18,19,21,22,25).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 72719811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).