1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea

C15H15ClN6O2 — CID 46345299

IUPAC1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
SMILESCCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN6O2/c1-2-4-11-12(13(23)22-14(20-11)17-8-18-22)21-15(24)19-10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,17,18,20)(H2,19,21,24)
InChIKeyKWWBRLOITVHKDC-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea

1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea (PubChem CID 46345299) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
PubChem CID46345299
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
SMILESCCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN6O2/c1-2-4-11-12(13(23)22-14(20-11)17-8-18-22)21-15(24)19-10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,17,18,20)(H2,19,21,24)
InChIKeyKWWBRLOITVHKDC-UHFFFAOYSA-N
XLogP2.67
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
CID 50794914
1-(4-chlorophenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
CID 20959185
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 22434129
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]propanamide
CID 166188489
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
1-(2-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-(3-methylphenyl)urea
CID 50795019
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea (CID 46345299) is 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea is CCCc1nc2nc[nH]n2c(=O)c1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
The InChIKey is KWWBRLOITVHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-2-4-11-12(13(23)22-14(20-11)17-8-18-22)21-15(24)19-10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,17,18,20)(H2,19,21,24).
What are the key properties of 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea?
1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea has a molecular weight of 346.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea is sourced from PubChem (CID 46345299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).