(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea

C9H12N6O — CID 153239153

IUPAC(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
SMILESCC(C)c1cnn2c(NC(N)=O)ncnc12
InChIInChI=1S/C9H12N6O/c1-5(2)6-3-13-15-7(6)11-4-12-9(15)14-8(10)16/h3-5H,1-2H3,(H3,10,11,12,14,16)
InChIKeyWRCGMJZOBPGRAO-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.74
Rot. Bonds2

About (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea

(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea (PubChem CID 153239153) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea.

Molecular Properties

Compound Name(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
PubChem CID153239153
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
SMILESCC(C)c1cnn2c(NC(N)=O)ncnc12
InChIInChI=1S/C9H12N6O/c1-5(2)6-3-13-15-7(6)11-4-12-9(15)14-8(10)16/h3-5H,1-2H3,(H3,10,11,12,14,16)
InChIKeyWRCGMJZOBPGRAO-UHFFFAOYSA-N
XLogP0.74
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959
3-Tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
CID 164955557
6-Fluoro-3-prop-2-enylpyrazolo[1,5-a]pyrimidin-2-amine
CID 175870951
8-(2,2,2-Trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 175883231
N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80867813
5-Propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868493
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84726230
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84726232
N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728418
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 84728420
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794145

Frequently Asked Questions

What is the IUPAC name of (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The IUPAC name of (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea (CID 153239153) is (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea.
What is the SMILES notation for (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The canonical SMILES for (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea is CC(C)c1cnn2c(NC(N)=O)ncnc12.
What is the InChIKey of (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The InChIKey is WRCGMJZOBPGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5(2)6-3-13-15-7(6)11-4-12-9(15)14-8(10)16/h3-5H,1-2H3,(H3,10,11,12,14,16).
What are the key properties of (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
(8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea has a molecular weight of 220.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea is sourced from PubChem (CID 153239153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).