3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one

C10H12N4O — CID 13091850

IUPAC3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)c1nc(=O)[nH]n1-c1ccccn1
InChIInChI=1S/C10H12N4O/c1-7(2)9-12-10(15)13-14(9)8-5-3-4-6-11-8/h3-7H,1-2H3,(H,13,15)
InChIKeyXEXGWEUBURYTFT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.08
Rot. Bonds2

About 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one

3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 13091850) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
PubChem CID13091850
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)c1nc(=O)[nH]n1-c1ccccn1
InChIInChI=1S/C10H12N4O/c1-7(2)9-12-10(15)13-14(9)8-5-3-4-6-11-8/h3-7H,1-2H3,(H,13,15)
InChIKeyXEXGWEUBURYTFT-UHFFFAOYSA-N
XLogP1.08
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamidopyridine
CID 72929
N-Methyl-N-nitroso-2-pyridinamine
CID 146270
3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CID 667652
2-(Pivaloylamino)pyridine
CID 1051519
2-Hydrazinopyridine
CID 78645
Dihydro-benzodipyrazole deriv. 7u
CID 5331049
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(4-pyridinyl)-
CID 3088268
5-amino-1-(pyridin-2-yl)-2,3-dihydro-1H-pyrazol-3-one
CID 459567
N'1-[5-(trifluoromethyl)-2-pyridyl]-2-methylpropanohydrazide
CID 2727167
Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridyl)-
CID 43350
2-Hydrazinyl-3-methylpyridine
CID 250843

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one (CID 13091850) is 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one is CC(C)c1nc(=O)[nH]n1-c1ccccn1.
What is the InChIKey of 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is XEXGWEUBURYTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(2)9-12-10(15)13-14(9)8-5-3-4-6-11-8/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one?
3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 13091850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).