(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide

C15H16N8O2 — CID 125142647

IUPAC(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N1CCOC[C@H]1c1ncn[nH]1
InChIInChI=1S/C15H16N8O2/c24-15(22-6-7-25-9-12(22)14-17-10-18-21-14)20-11-2-3-13(16-8-11)23-5-1-4-19-23/h1-5,8,10,12H,6-7,9H2,(H,20,24)(H,17,18,21)/t12-/m0/s1
InChIKeyZEKBJVRZAZSQAT-LBPRGKRZSA-N
MW340.35 g/mol
LogP0.99
Rot. Bonds3

About (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide

(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide (PubChem CID 125142647) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
PubChem CID125142647
Molecular FormulaC15H16N8O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)N1CCOC[C@H]1c1ncn[nH]1
InChIInChI=1S/C15H16N8O2/c24-15(22-6-7-25-9-12(22)14-17-10-18-21-14)20-11-2-3-13(16-8-11)23-5-1-4-19-23/h1-5,8,10,12H,6-7,9H2,(H,20,24)(H,17,18,21)/t12-/m0/s1
InChIKeyZEKBJVRZAZSQAT-LBPRGKRZSA-N
XLogP0.99
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(6-butoxy-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 100648871
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CID 124883691
(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 124883687
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
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4-ethyl-N-(6-pyrazol-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 146131318
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436
(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
CID 124883853
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60849056
(3-benzylphenyl)-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide (CID 125142647) is (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)N1CCOC[C@H]1c1ncn[nH]1.
What is the InChIKey of (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
The InChIKey is ZEKBJVRZAZSQAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N8O2/c24-15(22-6-7-25-9-12(22)14-17-10-18-21-14)20-11-2-3-13(16-8-11)23-5-1-4-19-23/h1-5,8,10,12H,6-7,9H2,(H,20,24)(H,17,18,21)/t12-/m0/s1.
What are the key properties of (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide?
(3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-pyrazol-1-yl-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 125142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).