2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H20ClN7O — CID 162357209

IUPAC2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3cc(-c4cn(C)cn4)ccc3Cl)nc2n1
InChIInChI=1S/C19H20ClN7O/c1-3-4-14-8-17(28)27-19(23-14)24-18(25-27)21-9-13-7-12(5-6-15(13)20)16-10-26(2)11-22-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,23,24,25)
InChIKeyDIAWZBJBMPKHGZ-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.04
Rot. Bonds6

About 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 162357209) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID162357209
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3cc(-c4cn(C)cn4)ccc3Cl)nc2n1
InChIInChI=1S/C19H20ClN7O/c1-3-4-14-8-17(28)27-19(23-14)24-18(25-27)21-9-13-7-12(5-6-15(13)20)16-10-26(2)11-22-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,23,24,25)
InChIKeyDIAWZBJBMPKHGZ-UHFFFAOYSA-N
XLogP3.04
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-butyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357228
2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357259
2-[[2-methoxy-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357257
2-[(4-phenylphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357305
2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 3486325
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607412
5-(anilinomethyl)-2-[(2-chlorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53207972
2-[(3-chlorophenyl)methylamino]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610648
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
CID 7693042
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612
5-[(3-chloro-4-methylanilino)methyl]-2-[(4-ethylphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53208119
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 162357209) is 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3cc(-c4cn(C)cn4)ccc3Cl)nc2n1.
What is the InChIKey of 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DIAWZBJBMPKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O/c1-3-4-14-8-17(28)27-19(23-14)24-18(25-27)21-9-13-7-12(5-6-15(13)20)16-10-26(2)11-22-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 397.87 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 162357209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).